Stars
de novo design of high affinity biological binders
A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation
Code for NeurIPS 2023 paper "AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions"
An implementation of Restricted Boltzmann Machine in Pytorch
List of papers about Proteins Design using Deep Learning
Official repository for the paper "Large-scale clinical interpretation of genetic variants using evolutionary data and deep learning". Joint collaboration between the Marks lab and the OATML group.
Antibody-Antigen Docking and Affinity Benchmark
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
Experimental small molecule hydration free energy dataset
Open source code for AlphaFold 2.
Examples showing how to run GROMACS molecular dynamics simulations