BioinfoMachineLearning
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bio-diffusion
bio-diffusion PublicA geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
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DeepInteract
DeepInteract PublicA geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)
Repositories
- PSBench Public
A large and comprehensive benchmark for estimating the accuracy of protein complex structural models
BioinfoMachineLearning/PSBench’s past year of commit activity - MULTICOM4 Public
The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri - Columbia
BioinfoMachineLearning/MULTICOM4’s past year of commit activity - GCPNet Public
A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)
BioinfoMachineLearning/GCPNet’s past year of commit activity - chai-lab Public Forked from chaidiscovery/chai-lab
Chai-1, SOTA model for biomolecular structure prediction
BioinfoMachineLearning/chai-lab’s past year of commit activity - FlowDock Public
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
BioinfoMachineLearning/FlowDock’s past year of commit activity - PoseBench Public
Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
BioinfoMachineLearning/PoseBench’s past year of commit activity - deep-learning-hpc-project-template Public
A PyTorch Lightning project template adapted for high-performance computing clusters such as Summit and Fugaku
BioinfoMachineLearning/deep-learning-hpc-project-template’s past year of commit activity - MULTICOM_ligand Public
Comprehensive ensembling of protein-ligand structure and affinity prediction methods (CASP16)
BioinfoMachineLearning/MULTICOM_ligand’s past year of commit activity - denoisecryodata Public
The dataset for training machine learning methods to denoise cryo-EM density maps
BioinfoMachineLearning/denoisecryodata’s past year of commit activity
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