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af2_multistate_hallucination

AF2 based MCMC Hallucination Script based on Wicky, Milles, Courbet et al 2022

af2seq

alphafold

Open source code for AlphaFold.

alphafold3-pytorch

Implementation of Alphafold 3 in Pytorch

annotated_deep_learning_paper_implementations

🧑‍🏫 60 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

apbs

Software for biomolecular electrostatics and solvation calculations

books

一些常见的书籍pdf或者视频

chroma

A generative model for programmable protein design

cs230-code-examples

Code examples in pyTorch and Tensorflow for CS230

decoil

A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library

deepshare-pytorch

深度之眼-Pytorch框架班笔记与作业

deepurfold

Explore protein fold space with deep generative models

diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

diffusional-fingerprinting

dl_binder_design

evodiff

Generation of protein sequences and evolutionary alignments via discrete diffusion models

finches

FINCHES (First-principle Interactions via CHEmical Specificity) - Python package for predicting chemically-specific molecular interactions for IDRs

foldflow

Code release for our recent paper "SE(3)-Stochastic Flow Matching for Protein Backbone Generation" https://arxiv.org/abs/2310.02391

foldseek

Foldseek enables fast and sensitive comparisons of large structure sets.

frame-flow

Fast protein backbone generation with SE(3) flow matching.

hydra

Hydra is a framework for elegantly configuring complex applications

ilee_csk

jump

masif_seed

Masif seed paper repository

ml-and-dl

self-learning

molecularnodes

Addon and nodes for working with structural biology and molecular data in Blender.

mpnn

Open source implementation of "Neural Message Passing for Quantum Chemistry"

multicom3

The software system of predicting protein tertiary and quaternary structures. It is prepared for CASP15 by BMLab.

netron

Visualizer for neural network, deep learning and machine learning models

neurips19-graph-protein-design

Generative Models for Graph-Based Protein Design