Pro-FSFP: Few-Shot Protein Fitness Prediction

GNN trained to predict changes in thermodynamic stability for protein point mutants

This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.

Predicting retention times for RP, HILIC, and mixed mode

Improved antibody structure-based design using inverse folding

A Drug-Target Interaction Prediction Method Based on an Integrated Learning Algorithm

HyperPCM: Robust task-conditioned modeling of drug-target interactions

Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations

PepFun 2.0: improved protocols for the analysis of natural and modified peptides

pyPept: a python library to generate atomistic 2D and 3D representations of peptides

The project of the downstream tasks based on LucaOne's Embedding.

LucaOne’s representational inference code. Use this project for embedding inference.

The LucaOne’s code, including model code and pre-training code.

open source code for Tencent tFold

[ICLR'24 spotlight] Saprot: Protein Language Model with Structural Alphabet

PFRED Docker project

Converts image protein sequences in patents (3-letter coded) to 1-letter coded fasta format

a deep learning based drug target interaction prediction model

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)

Official repository for the ProteinGym benchmarks