Stars
#1 Locally hosted web application that allows you to perform various operations on PDF files
Reaction-Conditioned Virtual Screening of Enzymes
Library for faster pinned CPU <-> GPU transfer in Pytorch
Implementation of Alphafold 3 in Pytorch
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1dvR)
Official Repository for the Uni-Mol Series Methods
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
A powerful and flexible machine learning platform for drug discovery
GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
MMseqs2: ultra fast and sensitive search and clustering suite
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Saprot: Protein Language Model with Structural Alphabet (AA+3Di)
微信聊天记录导出、数据库破解、数据分析 (iPhone & MacBook)
提取微信聊天记录，将其导出成HTML、Word、Excel文档永久保存，对聊天记录进行分析生成年度聊天报告，用聊天数据训练专属于个人的AI聊天助手
Scripts to generate and analyze afdb clusters
AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the mod…