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Recoilize ⭐ 557

A Chrome Dev tool for debugging applications built with the experimental Recoil.js state management library.

⚡ A Molecular State Engine for React

Espaloma ⭐ 181

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

A Atom package for git commit graphs

Proto Repl Charts ⭐ 59

An Atom Plugin extension for Proto REPL that allows displaying graphs.

Xyz2graph ⭐ 58

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

Heisenberg ⭐ 48

Chemical Structure Builder with Swift & iOS ⚛️🧪

Unsupervised learning of atomic scale dynamics from molecular dynamics.

Keras Neural Graph Fingerprint ⭐ 41

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

Perfevent_overhead ⭐ 9

Overhead benchmarks for the perf_event subsystem

Clustering Graph ⭐ 9

Graph datastructure that automagically manages clusters

Atomspace Dht ⭐ 6

OpenDHT backend driver for the AtomSpace Graph Database

Node Flame Graph ⭐ 6

A tool for generating flame graphs of CPU profiling data

Graph based CHEMical Object Library (legacy)

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