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✏️ Table of Contents

📑 Features

🙌 VenusFactory is a unified open platform for protein engineering, supporting both graphical user interface (GUI) and command-line operations. It enables data retrieval, model training, evaluation, and deployment through a streamlined, no-code workflow.

🆒 With support for local private deployment and access to over 40 state-of-the-art deep learning models, VenusFactory lowers the barrier to scientific research and accelerates the application of AI in life sciences.

  • Vaious protein langugae models: Venus series, ESM series, ProtTrans series, Ankh series, etc
  • Comprehensive supervised datasets: Localization, Fitness, Solubility, Stability, etc
  • Easy and quick data collector: AlphaFold2 Database, RCSB, InterPro, Uniprot, etc
  • Experiment moitors: Wandb, Local
  • Friendly interface: Gradio UI

🤖 Supported Models

Pre-training Protein Language Models

Venus Series Models (Published by Liang's Lab)
Model Size Parameters GPU Memory Features Template
ProSST-20 20 110M 4GB+ Mutation AI4Protein/ProSST-20
ProSST-128 128 110M 4GB+ Mutation AI4Protein/ProSST-128
ProSST-512 512 110M 4GB+ Mutation AI4Protein/ProSST-512
ProSST-2048 2048 110M 4GB+ Mutation AI4Protein/ProSST-2048
ProSST-4096 4096 110M 4GB+ Mutation AI4Protein/ProSST-4096
ProPrime-690M 690M 690M 16GB+ OGT-prediction AI4Protein/Prime_690M
VenusPLM-300M 300M 300M 12GB+ Protein-language AI4Protein/VenusPLM-300M

💡 These models often excel in specific tasks or offer unique architectural benefits

Venus-PETA Models: Tokenization variants

BPE Tokenization Series

Model Vocab Size Parameters GPU Memory Template
PETA-base base 80M 4GB+ AI4Protein/deep_base
PETA-bpe-50 50 80M 4GB+ AI4Protein/deep_bpe_50
PETA-bpe-200 200 80M 4GB+ AI4Protein/deep_bpe_200
PETA-bpe-400 400 80M 4GB+ AI4Protein/deep_bpe_400
PETA-bpe-800 800 80M 4GB+ AI4Protein/deep_bpe_800
PETA-bpe-1600 1600 80M 4GB+ AI4Protein/deep_bpe_1600
PETA-bpe-3200 3200 80M 4GB+ AI4Protein/deep_bpe_3200

Unigram Tokenization Series

Model Vocab Size Parameters GPU Memory Template
PETA-unigram-50 50 80M 4GB+ AI4Protein/deep_unigram_50
PETA-unigram-100 100 80M 4GB+ AI4Protein/deep_unigram_100
PETA-unigram-200 200 80M 4GB+ AI4Protein/deep_unigram_200
PETA-unigram-400 400 80M 4GB+ AI4Protein/deep_unigram_400
PETA-unigram-800 800 80M 4GB+ AI4Protein/deep_unigram_800
PETA-unigram-1600 1600 80M 4GB+ AI4Protein/deep_unigram_1600
PETA-unigram-3200 3200 80M 4GB+ AI4Protein/deep_unigram_3200

💡 Different tokenization strategies may be better suited for specific tasks

ESM Series Models: Meta AI's protein language models
Model Size Parameters GPU Memory Training Data Template
ESM2-8M 8M 8M 2GB+ UR50/D facebook/esm2_t6_8M_UR50D
ESM2-35M 35M 35M 4GB+ UR50/D facebook/esm2_t12_35M_UR50D
ESM2-150M 150M 150M 8GB+ UR50/D facebook/esm2_t30_150M_UR50D
ESM2-650M 650M 650M 16GB+ UR50/D facebook/esm2_t33_650M_UR50D
ESM2-3B 3B 3B 24GB+ UR50/D facebook/esm2_t36_3B_UR50D
ESM2-15B 15B 15B 40GB+ UR50/D facebook/esm2_t48_15B_UR50D
ESM-1b 650M 650M 16GB+ UR50/S facebook/esm1b_t33_650M_UR50S
ESM-1v-1 650M 650M 16GB+ UR90/S facebook/esm1v_t33_650M_UR90S_1
ESM-1v-2 650M 650M 16GB+ UR90/S facebook/esm1v_t33_650M_UR90S_2
ESM-1v-3 650M 650M 16GB+ UR90/S facebook/esm1v_t33_650M_UR90S_3
ESM-1v-4 650M 650M 16GB+ UR90/S facebook/esm1v_t33_650M_UR90S_4
ESM-1v-5 650M 650M 16GB+ UR90/S facebook/esm1v_t33_650M_UR90S_5

💡 ESM2 models are the latest generation, offering better performance than ESM-1b/1v

BERT-based Models: Transformer encoder architecture
Model Size Parameters GPU Memory Training Data Template
ProtBert-Uniref100 420M 420M 12GB+ UniRef100 Rostlab/prot_bert
ProtBert-BFD 420M 420M 12GB+ BFD100 Rostlab/prot_bert_bfd
IgBert 420M 420M 12GB+ Antibody Exscientia/IgBert
IgBert-unpaired 420M 420M 12GB+ Antibody Exscientia/IgBert_unpaired

💡 BFD-trained models generally show better performance on structure-related tasks

T5-based Models: Encoder-decoder architecture
Model Size Parameters GPU Memory Training Data Template
ProtT5-XL-UniRef50 3B 3B 24GB+ UniRef50 Rostlab/prot_t5_xl_uniref50
ProtT5-XXL-UniRef50 11B 11B 40GB+ UniRef50 Rostlab/prot_t5_xxl_uniref50
ProtT5-XL-BFD 3B 3B 24GB+ BFD100 Rostlab/prot_t5_xl_bfd
ProtT5-XXL-BFD 11B 11B 40GB+ BFD100 Rostlab/prot_t5_xxl_bfd
IgT5 3B 3B 24GB+ Antibody Exscientia/IgT5
IgT5-unpaired 3B 3B 24GB+ Antibody Exscientia/IgT5_unpaired
Ankh-base 450M 450M 12GB+ Encoder-decoder ElnaggarLab/ankh-base
Ankh-large 1.2B 1.2B 20GB+ Encoder-decoder ElnaggarLab/ankh-large

💡 T5 models can be used for both encoding and generation tasks

Model Selection Guide

How to choose the right model?
  1. Based on Hardware Constraints:

    • Limited GPU (<8GB): ESM2-8M, ESM2-35M, ProSST
    • Medium GPU (8-16GB): ESM2-150M, ESM2-650M, ProtBert series
    • High-end GPU (24GB+): ESM2-3B, ProtT5-XL, Ankh-large
    • Multiple GPUs: ESM2-15B, ProtT5-XXL
  2. Based on Task Type:

    • Sequence classification: ESM2, ProtBert
    • Structure prediction: ESM2, Ankh
    • Generation tasks: ProtT5
    • Antibody design: IgBert, IgT5
    • Lightweight deployment: ProSST, PETA-base
  3. Based on Training Data:

    • General protein tasks: ESM2, ProtBert
    • Structure-aware tasks: Ankh
    • Antibody-specific: IgBert, IgT5
    • Custom tokenization needs: PETA series

🔍 All models are available through the Hugging Face Hub and can be easily loaded using their templates.

🔬 Supported Training Approaches

Supported Training Approaches
Approach Full-tuning Freeze-tuning SES-Adapter AdaLoRA QLoRA LoRA DoRA IA3
Supervised Fine-Tuning

📚 Supported Datasets

Pre-training datasets
dataset data level link
CATH_V43_S40 structures CATH_V43_S40
AGO_family structures AGO_family
Zero-shot datasets
dataset task link
VenusMutHub mutation effects prediction VenusMutHub
ProteinGym mutation effects prediction ProteinGym
Supervised fine-tuning datasets (amino acid sequences/ foldseek sequences/ ss8 sequences)
dataset task data level problem type link
DeepLocBinary localization protein-wise single_label_classification DeepLocBinary_AlphaFold2, DeepLocBinary_ESMFold
DeepLocMulti localization protein-wise multi_label_classification DeepLocMulti_AlphaFold2, DeepLocMulti_ESMFold
DeepLoc2Multi localization protein-wise single_label_classification DeepLoc2Multi_AlphaFold2, DeepLoc2Multi_ESMFold
DeepSol solubility protein-wise single_label_classification DeepSol_ESMFold
DeepSoluE solubility protein-wise single_label_classification DeepSoluE_ESMFold
ProtSolM solubility protein-wise single_label_classification ProtSolM_ESMFold
eSOL solubility protein-wise regression eSOL_AlphaFold2, eSOL_ESMFold
DeepET_Topt optimum temperature protein-wise regression DeepET_Topt_AlphaFold2, DeepET_Topt_ESMFold
EC function protein-wise multi_label_classification EC_AlphaFold2, EC_ESMFold
GO_BP function protein-wise multi_label_classification GO_BP_AlphaFold2, GO_BP_ESMFold
GO_CC function protein-wise multi_label_classification GO_CC_AlphaFold2, GO_CC_ESMFold
GO_MF function protein-wise multi_label_classification GO_MF_AlphaFold2, GO_MF_ESMFold
MetalIonBinding binding protein-wise single_label_classification MetalIonBinding_AlphaFold2, MetalIonBinding_ESMFold
Thermostability stability protein-wise regression Thermostability_AlphaFold2, Thermostability_ESMFold

✨ Only structural sequences are different for the same dataset, for example, DeepLocBinary_ESMFold and DeepLocBinary_AlphaFold2 share the same amino acid sequences, this means if you only want to use the aa_seqs, both are ok!

Supervised fine-tuning datasets (amino acid sequences)
dataset task data level problem type link
Demo_Solubility solubility protein-wise single_label_classification Demo_Solubility
DeepLocBinary localization protein-wise single_label_classification DeepLocBinary
DeepLocMulti localization protein-wise multi_label_classification DeepLocMulti
DeepLoc2Multi localization protein-wise single_label_classification DeepLoc2Multi
DeepSol solubility protein-wise single_label_classification DeepSol
DeepSoluE solubility protein-wise single_label_classification DeepSoluE
ProtSolM solubility protein-wise single_label_classification ProtSolM
eSOL solubility protein-wise regression eSOL
DeepET_Topt optimum temperature protein-wise regression DeepET_Topt
EC function protein-wise multi_label_classification EC
GO_BP function protein-wise multi_label_classification GO_BP
GO_CC function protein-wise multi_label_classification GO_CC
GO_MF function protein-wise multi_label_classification GO_MF
MetalIonBinding binding protein-wise single_label_classification MetalIonBinding
Thermostability stability protein-wise regression Thermostability
PaCRISPR CRISPR protein-wise single_label_classification PaCRISPR
PETA_CHS_Sol solubility protein-wise single_label_classification PETA_CHS_Sol
PETA_LGK_Sol solubility protein-wise single_label_classification PETA_LGK_Sol
PETA_TEM_Sol solubility protein-wise single_label_classification PETA_TEM_Sol
SortingSignal sorting signal protein-wise single_label_classification SortingSignal
FLIP_AAV mutation protein-site regression
FLIP_AAV_one-vs-rest mutation protein-site single_label_classification FLIP_AAV_one-vs-rest
FLIP_AAV_two-vs-rest mutation protein-site single_label_classification FLIP_AAV_two-vs-rest
FLIP_AAV_mut-des mutation protein-site single_label_classification FLIP_AAV_mut-des
FLIP_AAV_des-mut mutation protein-site single_label_classification FLIP_AAV_des-mut
FLIP_AAV_seven-vs-rest mutation protein-site single_label_classification FLIP_AAV_seven-vs-rest
FLIP_AAV_low-vs-high mutation protein-site single_label_classification FLIP_AAV_low-vs-high
FLIP_AAV_sampled mutation protein-site single_label_classification FLIP_AAV_sampled
FLIP_GB1 mutation protein-site regression
FLIP_GB1_one-vs-rest mutation protein-site single_label_classification FLIP_GB1_one-vs-rest
FLIP_GB1_two-vs-rest mutation protein-site single_label_classification FLIP_GB1_two-vs-rest
FLIP_GB1_three-vs-rest mutation protein-site single_label_classification FLIP_GB1_three-vs-rest
FLIP_GB1_low-vs-high mutation protein-site single_label_classification FLIP_GB1_low-vs-high
FLIP_GB1_sampled mutation protein-site single_label_classification FLIP_GB1_sampled
TAPE_Fluorescence fluorescence protein-site regression TAPE_Fluorescence
TAPE_Stability stability protein-site regression TAPE_Stability

📈 Supported Metrics

Supported Metrics
Name Torchmetrics Problem Type
accuracy Accuracy single_label_classification/ multi_label_classification
recall Recall single_label_classification/ multi_label_classification
precision Precision single_label_classification/ multi_label_classification
f1 F1Score single_label_classification/ multi_label_classification
mcc MatthewsCorrCoef single_label_classification/ multi_label_classification
auc AUROC single_label_classification/ multi_label_classification
f1_max F1ScoreMax multi_label_classification
spearman_corr SpearmanCorrCoef regression
mse MeanSquaredError regression

✈️ Requirements

Hardware Requirements

  • Recommended: NVIDIA RTX 3090 (24GB) or better
  • Actual requirements depend on your chosen protein language model

Software Requirements

📦 Installation Guide

Git start with macOS

To achieve the best performance and experience, we recommend using ​Mac devices with M-series chips (such as M1, M2, M3, etc.).

1️⃣ Clone the repository

First, get the VenusFactory code:

git clone https://github.com/AI4Protein/VenusFactory.git
cd VenusFactory

2️⃣ Create a Conda environment

Ensure you have Anaconda or Miniconda installed. Then, create a new environment named venus with Python 3.10:

conda create -n venus python=3.10
conda activate venus

3️⃣ Install Pytorch and PyG dependencies

# Install PyTorch
pip install --pre torch torchvision torchaudio --extra-index-url https://download.pytorch.org/whl/nightly/cpu

# Install PyG dependencies
pip install torch_scatter torch-sparse torch-geometric -f https://data.pyg.org/whl/torch-2.2.0+cpu.html

4️⃣ Install remaining dependencies

Install the remaining dependencies using requirements_for_macOS.txt:

pip install -r requirements_for_macOS.txt
Git start with Windows or Linux on CUDA 12.x

We recommend using CUDA 12.2

1️⃣ Clone the repository

First, get the VenusFactory code:

git clone https://github.com/AI4Protein/VenusFactory.git
cd VenusFactory

2️⃣ Create a Conda environment

Ensure you have Anaconda or Miniconda installed. Then, create a new environment named venus with Python 3.10:

conda create -n venus python=3.10
conda activate venus

3️⃣ Install Pytorch and PyG dependencies

# Install PyTorch
pip install torch==2.5.1 torchvision==0.20.1 --index-url https://download.pytorch.org/whl/cu121

# Install PyG dependencies
pip install torch_geometric==2.6.1 -f https://pytorch-geometric.com/whl/torch-2.5.1+cu121.html
pip install --no-index torch_scatter==2.1.2 -f https://pytorch-geometric.com/whl/torch-2.5.1+cu121.html

4️⃣ Install remaining dependencies

Install the remaining dependencies using requirements.txt:

pip install -r requirements.txt
Git start with Windows or Linux on CUDA 11.x

We recommend using CUDA 11.8 or later versions, as they support higher versions of PyTorch, providing a better experience.

1️⃣ Clone the repository

First, get the VenusFactory code:

git clone https://github.com/AI4Protein/VenusFactory.git
cd VenusFactory

2️⃣ Create a Conda environment

Ensure you have Anaconda or Miniconda installed. Then, create a new environment named venus with Python 3.10:

conda create -n venus python=3.10
conda activate venus

3️⃣ Install Pytorch and PyG dependencies

# Install PyTorch
pip install torch==2.5.1 torchvision==0.20.1 --index-url https://download.pytorch.org/whl/cu118

# Install PyG dependencies
pip install torch_geometric==2.6.1 -f https://pytorch-geometric.com/whl/torch-2.5.1+cu118.html
pip install --no-index torch_scatter==2.1.2 -f https://pytorch-geometric.com/whl/torch-2.5.1+cu118.html

4️⃣ Install remaining dependencies

Install the remaining dependencies using requirements.txt:

pip install -r requirements.txt
Git start with Windows or Linux on CPU

1️⃣ Clone the repository

First, get the VenusFactory code:

git clone https://github.com/AI4Protein/VenusFactory.git
cd VenusFactory

2️⃣ Create a Conda environment

Ensure you have Anaconda or Miniconda installed. Then, create a new environment named venus with Python 3.10:

conda create -n venus python=3.10
conda activate venus

3️⃣ Install Pytorch and PyG dependencies

# Install PyTorch
pip install torch==2.5.1 torchvision==0.20.1 --index-url https://download.pytorch.org/whl/cpu

# Install PyG dependencies
pip install torch_geometric==2.6.1 -f https://pytorch-geometric.com/whl/torch-2.5.1+cpu.html
pip install --no-index torch_scatter==2.1.2 -f https://pytorch-geometric.com/whl/torch-2.5.1+cpu.html

4️⃣ Install remaining dependencies

Install the remaining dependencies using requirements.txt:

pip install -r requirements.txt

🚀 Quick Start with Venus Web UI

Start Venus Web UI

Get started quickly with our intuitive graphical interface powered by Gradio:

python ./src/webui.py

This will launch the Venus Web UI where you can:

  • Configure and run fine-tuning experiments
  • Monitor training progress
  • Evaluate models
  • Visualize results

Using Each Tab

We provide a detailed guide to help you navigate through each tab of the Venus Web UI.

1. Training Tab: Train your own protein language model

Model_Dataset_Config

Select a protein language model from the dropdown menu. Upload your dataset or select from available datasets and choose metrics appropriate for your problem type.

Training_Parameters Choose a training method (Freeze, SES-Adapter, LoRA, QLoRA etc.) and configure training parameters (batch size, learning rate, etc.).

Preview_Command Training_Progress Best_Model Monitor_Figs Click "Start Training" and monitor progress in real-time.

Metric_Results

Click "Download CSV" to download the test metrics results.

2. Evaluation Tab: Evaluate your trained model within a benchmark

Model_Dataset_Config

Load your trained model by specifying the model path. Select the same protein language model and model configs used during training. Select a test dataset and configure batch size. Choose evaluation metrics appropriate for your problem type. Finally, click "Start Evaluation" to view performance metrics.

3. Prediction Tab: Use your trained model to predict samples

Predict_Tab

Load your trained model by specifying the model path. Select the same protein language model and model configs used during training.

For single sequence: Enter a protein sequence in the text box.

For batch prediction: Upload a CSV file with sequences.

Batch

Click "Predict" to generate and view results.

4. Download Tab: Collect data from different sources with high efficiency
  • AlphaFold2 Structures: Enter UniProt IDs to download protein structures
  • UniProt: Search for protein information using keywords or IDs
  • InterPro: Retrieve protein family and domain information
  • RCSB PDB: Download experimental protein structures
5. Manual Tab: Detailed documentation and guides

Select a language (English/Chinese).

Navigate through the documentation using the table of contents and find step-by-step guides.

🧬 Code-line Usage

For users who prefer command-line interface, we provide comprehensive script solutions for different scenarios.

Training Methods: Various fine-tuning approaches for different needs

Full Model Fine-tuning

# Freeze-tuning: Train only specific layers while freezing others
bash ./script/train/train_plm_vanilla.sh

Parameter-Efficient Fine-tuning (PEFT)

# SES-Adapter: Selective and Efficient adapter fine-tuning
bash ./script/train/train_plm_ses-adapter.sh

# AdaLoRA: Adaptive Low-Rank Adaptation
bash ./script/train/train_plm_adalora.sh

# QLoRA: Quantized Low-Rank Adaptation
bash ./script/train/train_plm_qlora.sh

# LoRA: Low-Rank Adaptation
bash ./script/train/train_plm_lora.sh

# DoRA: Double Low-Rank Adaptation
bash ./script/train/train_plm_dora.sh

# IA3: Infused Adapter by Inhibiting and Amplifying Inner Activations
bash ./script/train/train_plm_ia3.sh

Training Method Comparison

Method Memory Usage Training Speed Performance
Freeze Low Fast Good
SES-Adapter Medium Medium Better
AdaLoRA Low Medium Better
QLoRA Very Low Slower Good
LoRA Low Fast Good
DoRA Low Medium Better
IA3 Very Low Fast Good
Model Evaluation: Comprehensive evaluation tools

Basic Evaluation

# Evaluate model performance on test sets
bash ./script/eval/eval.sh

Available Metrics

  • Classification: accuracy, precision, recall, F1, MCC, AUC
  • Regression: MSE, Spearman correlation
  • Multi-label: F1-max

Visualization Tools

  • Training curves
  • Confusion matrices
  • ROC curves
  • Performance comparison plots
Structure Sequence Tools: Process protein structure information

ESM Structure Sequence

# Generate structure sequences using ESM-3
bash ./script/get_get_structure_seq/get_esm3_structure_seq.sh

Secondary Structure

# Predict protein secondary structure
bash ./script/get_get_structure_seq/get_secondary_structure_seq.sh

Features:

  • Support for multiple sequence formats
  • Batch processing capability
  • Integration with popular structure prediction tools
Data Collection Tools: Multi-source protein data acquisition

Format Conversion

# Convert CIF format to PDB
bash ./crawler/convert/maxit.sh

Metadata Collection

# Download metadata from RCSB PDB
bash ./crawler/metadata/download_rcsb.sh

Sequence Data

# Download protein sequences from UniProt
bash ./crawler/sequence/download_uniprot_seq.sh

Structure Data

# Download from AlphaFold2 Database
bash ./crawler/structure/download_alphafold.sh

# Download from RCSB PDB
bash ./crawler/structure/download_rcsb.sh

Features:

  • Automated batch downloading
  • Resume interrupted downloads
  • Data integrity verification
  • Multiple source support
  • Customizable search criteria

Supported Databases

Database Data Type Access Method Rate Limit
AlphaFold2 Structures REST API Yes
RCSB PDB Structures FTP/HTTP No
UniProt Sequences REST API Yes
InterPro Domains REST API Yes
Usage Examples: Common scenarios and solutions

Training Example

# Train a protein solubility predictor using ESM2
bash ./script/train/train_plm_lora.sh \
    --model "facebook/esm2_t33_650M_UR50D" \
    --dataset "DeepSol" \
    --batch_size 32 \
    --learning_rate 1e-4

Evaluation Example

# Evaluate the trained model
bash ./script/eval/eval.sh \
    --model_path "path/to/your/model" \
    --test_dataset "DeepSol_test"

Data Collection Example

# Download structures for a list of UniProt IDs
bash ./crawler/structure/download_alphafold.sh \
    --input uniprot_ids.txt \
    --output ./structures

💡 All scripts support additional command-line arguments for customization. Use --help with any script to see available options.

🙌 Citation

Please cite our work if you have used our code or data.

@article{tan2025venusfactory,
  title={VenusFactory: A Unified Platform for Protein Engineering Data Retrieval and Language Model Fine-Tuning},
  author={Tan, Yang and Liu, Chen and Gao, Jingyuan and Wu, Banghao and Li, Mingchen and Wang, Ruilin and Zhang, Lingrong and Yu, Huiqun and Fan, Guisheng and Hong, Liang and Zhou, Bingxin},
  journal={arXiv preprint arXiv:2503.15438},
  year={2025}
}

🎊 Acknowledgement

Thanks the support of Liang's Lab.

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