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Achievement: Arctic Code Vault Contributor

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Achievement: Arctic Code Vault Contributor

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tajacobsen / obcalc

An OpenBabel calculator implementing the standard ASE interface

C++ 2 2 Updated May 3, 2018

lab-cosmo / chemiscope

An interactive structure/property explorer for materials and molecules

TypeScript 133 33 Updated Nov 4, 2024

sirmarcel / cmlkit

tools for machine learning in condensed matter physics and quantum chemistry

Python 34 6 Updated Apr 1, 2022

Avik-Jain / 100-Days-Of-ML-Code

100 Days of ML Coding

45,356 10,593 Updated Dec 29, 2023

funkymunkycool / Cube-Toolz

Python tool to manipulate Gaussian cube files

Python 40 16 Updated Jul 6, 2023