yansonggu's repositories
alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
RFdiffusion
Code for running RFdiffusion
ColabDesign
Making Protein Design accessible to all via Google Colab!
NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
ColabFold
Making Protein folding accessible to all!
foldseek
Foldseek enables fast and sensitive comparisons of large structure sets.
rosetta
The Rosetta Bio-macromolecule modeling package.
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
datawarrior
Interactive data analysis and visualisation with chemical intelligence
openchemlib
Open source Java-based chemistry library
Dock-MD-FEP
Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.
MMseqs2
MMseqs2: ultra fast and sensitive search and clustering suite
admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
Auto3D_pkg
Auto3D generates low-energy conformers from SMILES/SDF
StableDiffusion-PyTorch
This repo implements a Stable Diffusion model in PyTorch with all the essential components.
Pymol-script-repo
Collected scripts for Pymol
cheminventory
HTTP server and database for tracking and searching chemicals
python_for_microscopists
https://www.youtube.com/channel/UC34rW-HtPJulxr5wp2Xa04w?sub_confirmation=1
covid-19-data
Data on COVID-19 (coronavirus) cases, deaths, hospitalizations, tests • All countries • Updated daily by Our World in Data
excalidraw
Virtual whiteboard for sketching hand-drawn like diagrams
requests
A simple, yet elegant, HTTP library.
tcpdump
the TCPdump network dissector
libpcap
the LIBpcap interface to various kernel packet capture mechanism
tcpslice
tcpslice concatenates multiple pcap files together, or extracts time slices from one or more pcap files.
tcpdump-htdocs
Web site sources
rust
Empowering everyone to build reliable and efficient software.
rustc-dev-guide
A guide to how rustc works and how to contribute to it.