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Top 2 ab-initio-simulations open source projects
AutoForce
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
quantumVITAS
Quantum Visualization Interacting Toolkit for Ab-initio Simulations
✭ 52
java
javafx
quantum-espresso
graphical-user-interface
ab-initio-simulations
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