The open source coding agent.

Open-source implementation of AlphaEvolve

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.

An open-source Python package for creating fast and accurate interatomic potentials.

A Julia port of the POD Interatomic Potential

Package that provides a integrated Julia workflow for molecular dyanmics simulations.

Standard input/output package for AtomsBase-compatible structures

Alternative Twitter front-end

Molecular simulation in Julia

Julia package for Determinantal Point Processes

PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamics workflows.

Contains methods and types for a variety of interatomic potentials.

Extension of InteratomicPotentials.jl that contains machine learning potentials.