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Top 2 ab-initio-simulations open source projects

Sparse Gaussian Process Potentials

✭ 17

python chemistry physics density-functional-theory molecular-dynamics-simulation machinelearning gaussian-processes metadynamics sparse-gaussian-processes ab-initio-simulations metadynamics-simulations

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

✭ 52

java javafx quantum-espresso graphical-user-interface ab-initio-simulations

1-2 of 2 ab-initio-simulations projects