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