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A deep learning framework for molecular docking
Graph Transformer Networks (Authors' PyTorch implementation for the NeurIPS 19 paper)
Protein Graph Library
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
calculating RMSD between 2 conformers with different atom names
The official implementation of the Molecule Attention Transformer.
This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
We apply combinatorial mutagenesis and next-generation sequencing to characterize the local fitness landscape in an antigenic region of NA in six different human H3N2 strains that were isolated around 10 years apart. This pipeline is used to analyze data and plotting.
NLPδΈζζη¨
Open Source Neural Machine Translation in PyTorch
An Open-Source Package for Neural Relation Extraction (NRE)
Code repo for optimizing distributions of molecules.
PAML is a program package for model fitting and phylogenetic tree reconstruction using DNA and protein sequence data.
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
Practical Cheminformatics Tutorials
Repository of notes, code and notebooks in Python for the book Pattern Recognition and Machine Learning by Christopher Bishop
Interaction Fingerprints for protein-ligand complexes and more
Protein interaction calculator
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
Collected scripts for Pymol
Pytorch Geometric Tutorials
A declarative, efficient, and flexible JavaScript library for building user interfaces.
π Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. πππ
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google β€οΈ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.