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Name: François Bérenger
Type: User
Company: The University of Tokyo
Bio: Chemoinformatician
Location: Japan
Name: François Bérenger
Type: User
Company: The University of Tokyo
Bio: Chemoinformatician
Location: Japan
Framework for writing evolutionary optimization algorithms in OCaml
Molecular Structure Generation
Function to generate almost uniformly points on a sphere
generate molecular conformations
get line at index i from file f (a missing unix command); will crash early and loud if any problem on the contrary to awk
A Python package to compute similarities between molecules and structures
A deep learning framework for molecular docking
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
Performance benchmark for Parmap and Parany
Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.
Graph neural networks for molecular design.
Misc algorithms in OCaml (HyperLogLog, jump consistent hashing)
Mirror of https://gitlab.com/gromacs/gromacs.git
Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
GTM (Generative Topographic Mapping)
Benchmarks for generative chemistry
Baselines models for GuacaMol benchmarks
GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
mirror of https://git.durrantlab.pitt.edu/jdurrant/gypsum_dl/
The core parallel and shared memory library used by Hack, Flow, and Pyre
Hierarchical Generation of Molecular Graphs using Structural Motifs
:beer: The missing package manager for OS X.
A CLI workflow for the administration of Mac applications distributed as binaries
🍻 Default formulae for the missing package manager for macOS
Homebrew formula for rdkit
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.