Pinned Repositories
100-shell-script-examples
Collection of shell scripts found on the internet
3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
advanced-selenium
Code and Materials for Advanced Selenium Workshops taught by Sauce Labs
advent-of-code-2020
advent-of-code-2021
aizynthfinder
A tool for retrosynthetic planning
algorithm-exercise
Data Structure and Algorithm notes. 数据结构与算法/leetcode/lintcode题解/
yansonggu's Repositories
yansonggu/admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
yansonggu/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
yansonggu/Auto3D_pkg
Auto3D generates low-energy conformers from SMILES/SDF
yansonggu/cheminventory
HTTP server and database for tracking and searching chemicals
yansonggu/ColabDesign
Making Protein Design accessible to all via Google Colab!
yansonggu/ColabFold
Making Protein folding accessible to all!
yansonggu/covid-19-data
Data on COVID-19 (coronavirus) cases, deaths, hospitalizations, tests • All countries • Updated daily by Our World in Data
yansonggu/datawarrior
Interactive data analysis and visualisation with chemical intelligence
yansonggu/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
yansonggu/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.
yansonggu/excalidraw
Virtual whiteboard for sketching hand-drawn like diagrams
yansonggu/foldseek
Foldseek enables fast and sensitive comparisons of large structure sets.
yansonggu/GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
yansonggu/libpcap
the LIBpcap interface to various kernel packet capture mechanism
yansonggu/MMseqs2
MMseqs2: ultra fast and sensitive search and clustering suite
yansonggu/NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
yansonggu/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
yansonggu/openchemlib
Open source Java-based chemistry library
yansonggu/PortfolioProjects
yansonggu/Pymol-script-repo
Collected scripts for Pymol
yansonggu/python_for_microscopists
https://www.youtube.com/channel/UC34rW-HtPJulxr5wp2Xa04w?sub_confirmation=1
yansonggu/requests
A simple, yet elegant, HTTP library.
yansonggu/RFdiffusion
Code for running RFdiffusion
yansonggu/rosetta
The Rosetta Bio-macromolecule modeling package.
yansonggu/rust
Empowering everyone to build reliable and efficient software.
yansonggu/rustc-dev-guide
A guide to how rustc works and how to contribute to it.
yansonggu/StableDiffusion-PyTorch
This repo implements a Stable Diffusion model in PyTorch with all the essential components.
yansonggu/tcpdump
the TCPdump network dissector
yansonggu/tcpdump-htdocs
Web site sources
yansonggu/tcpslice
tcpslice concatenates multiple pcap files together, or extracts time slices from one or more pcap files.