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Adjusts topology files with GAFF to have GAFF-DC charges
WebGL-based protein structure viewer
Emulated IoT data to simulate emergency first response scenarios
Peer-to-peer hypermedia protocol
Browser extension that simplifies access to IPFS resources on the web
A frontend for an IPFS node.
Analysis of Quantitative Structure-Nanoparticle Assembly Prediction (QSNAP) descriptors for predicting drug-indocyanine dye (IR783) nanoparticle formation.
JARVIS-Tools: an open-source software package for data-driven atomistic materials design
IPFS implementation in JavaScript
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
Web-based molecule sketcher
A graph-based deep learning framework for life science
Library for Knowledge Intensive Language Tasks
Public development project of the LAMMPS MD software package
A web version of LAMMPS.
Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells
Identify reaction events in reactive molecular dynamics simulations
Data repository for: Application of the Ab Initio Nanoreactor to the Development of a New Peroxide-Driven Ketone Oxidation Reaction
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
molecular point group symmetry lib
A modular and extensible networking stack which solves many challenges of peer-to-peer applications.
Lime: Explaining the predictions of any machine learning classifier
Alchemical mutation scoring map
A Mac OS Terminal profile, using a Material Design color palette.
Color schemes for default macOS Terminal.app
Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
The official implementation of the Molecule Attention Transformer.
A Material-UI file upload dropzone
A skeleton for a generic python package w/ MIT License. YMMV
Data mining for materials science
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.