jsko-arontier

biotite

A comprehensive library for computational molecular biology

heicTojpg_python_tkinter

[Python + Tkinter] Heic to Jpg 변환 프로그램

AF_unmasked

Source code and examples for AlphaFold Unmasked

FrameDiPT

FrameDiPT: an SE(3) diffusion model for protein structure inpainting

MGV

Supporting code for uncultivated gut virus manuscript

ProteinMPNN

Code for the ProteinMPNN paper

alphafold2rave

alphamissense_asns

Snakemake pipeline for visualizing AlphaMissense pathogenicity score by UniProtID. Analysis of Asparagine Synthetase predictions.

marktext

📝A simple and elegant markdown editor, available for Linux, macOS and Windows.

PaddleHelix

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

Cfold

Structure prediction of alternative protein conformations

AlphaLink

AlphaLink: Integrating crosslinking MS data into OpenFold

Uni-Fold

An open-source platform for developing protein models beyond AlphaFold.

MpbPPI

MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein interactions

ColabDock

Code for ColabDock paper

AlphaLink2

AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer

DeepDock

Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

pyScoMotif

Python tool for the discovery of similar 3D structural motifs across protein structures.

ProstT5

Bilingual Language Model for Protein Sequence and Structure

CSAV

The Common Solvent Accessible Volume based on sweep-line algorithm

ROBIN

An analysis of a new experimentally-derived nucleic acid binding chemical library

KANO

Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".

mordred

a molecular descriptor calculator

AIMSim

A Python toolbox to work with molecular similarity

TADPOLE

Helper scripts for TADPOLE Challenge 2017: http://tadpole.grand-challenge.org

DeepSurf

A surface-based deep learning approach for the prediction of ligand binding sites on proteins

ProtDiff_SMCDiff

Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/abs/2206.04119

SVD-of-MSAs

This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyzing the results.

Vina-GPU

A heterogeneous OpenCL implementation of AutoDock Vina

alphafold_finetune

Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions