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alphafold

Open source code for AlphaFold.

autodock-vina

AutoDock Vina

awesome-bioinformatics

A curated list of awesome Bioinformatics libraries and software.

awesome-chatgpt-prompts-zh

ChatGPT 中文调教指南。各种场景使用指南。学习怎么让它听你的话。

awesome-python-chemistry

A curated list of Python packages related to chemistry

bipartite_matching

Enumerate all maximum matchings in bipartite graph in Python

bmtk

Brain Modeling Toolkit

colabfold

Making Protein folding accessible to all via Google Colab!

conformer-geometry

dash

Analytical Web Apps for Python, R, Julia, and Jupyter. No JavaScript Required.

deeplearningexamples

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

docker-galaxy-stable

:whale::bar_chart::books: Docker Images tracking the stable Galaxy releases.

freud

Powerful, efficient particle trajectory analysis in scientific Python.

galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry

gentrl

Generative Tensorial Reinforcement Learning (GENTRL) model

geoppi

gmatch4py

A graph matching library for Python

graph-matching

An implementation of the 'Matching with our Eyes Closed' algorithm for generating a randomized matching for a non-bipartite graph in an online manner.

lj-argon

A molecular dynamics simulation of liquid argon using a Lennard-Jones potential.

mmterm

View proteins and trajectories in the terminal

modlamp

Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.

molecular-conformation

Solving the molecular conformation problem in Fengqi You's paper

panda3d

Powerful, mature open-source cross-platform game engine for Python and C++, developed by Disney and CMU

parallelfold

A modified version of DeepMind's Alphafold2 to divide CPU part (MSA and template searching) and GPU part (prediction model)

peptides

An R package to calculate indices and theoretical physicochemical properties of peptides and protein sequences.

plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files

pmapper

3D pharmacophore signatures and fingerprints

protein-design-tutorials

Tutorials, cheat sheets, and other resources for computational methods for protein design.

protein-science

A collection of useful tutorials for Protein Science

protein_feature_analysis

ProteinFeatureAnalyzer extracts, analyzes and visualizes features from protein structures.