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WebGL accelerated JavaScript molecular graphics library
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
Atomic interaction potentials based on artificial neural networks
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
Atomistic Manipulation Toolkit
AutoTST: A framework to perform automated transition state theory calculations
Python资源大全中文版,包括:Web框架、网络爬虫、模板引擎、数据库、数据可视化、图片处理等,由伯乐在线持续更新。
bootstrap+jq+...,一个长得好看的网站,还即将变得好用的个人官网
基于bootstrap实现可视化布局的layoutit.com离线中文版
Carbonate 2.0: Now with a SMILES-to-molecule parser, a reasonable API, and some embeddable user interfaces! Summer 2014.
Crystal Structure Prediction
General purpose tools for high-throughput catalysis
Easy to use python classes for working with crystallographic objects (space groups, unit cells, sorts, Zelling symbols)
Crystal graph convolutional neural networks for predicting material properties.
Parse a chemical formula to get a count of each element in a compound
Read-only release history for Chemistry-PointGroup
Optimizing Chemical Reactions with Deep Reinforcement Learning
Molecule Design using Monte Carlo Tree Search with Neural Rollout
COMmon Bayesian Optimization
Thermophysical properties for the masses
A tool to generate Coulomb matrices from molecules formatted in SMILES.
Website and document: https://tomoki-yamashita.github.io/CrySPY
Applying Fukui functions on the molecular surface to predict the crystal structure of this molecule
Crystal structure prediction Android app
Compute the Voronoi diagram of a set of two-dimensional points.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Deep Learning for Java, Scala & Clojure on Hadoop & Spark With GPUs - From Skymind
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.