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research the 2019-nCov and design the inhibitors with AI
Python 3 fork for the preparation scripts contained in AutoDockTools
For the conversion of crystal systems (as cifs) to LAMMPS inputs
Convert Classtable to iCal using Pything and Excel as data source
Examples demonstrating how to reproduce the results in the paper.
Hierarchical Generation of Molecular Graphs using Structural Motifs
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
Kokkos C++ Performance Portability Programming EcoSystem: The Programming Model - Parallel Execution and Memory Abstraction
Public development project of the LAMMPS MD software package
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
A package to identify matched molecular pairs and use them to predict property changes.
Universal Transfer Learning for MOF
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Classical molecular simulation code
A script to run structural alerts using the RDKit and ChEMBL
The official sources for the RDKit library
Manage and switch between multiple proxies quickly & easily.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 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. 📊📈🎉
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 ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.