Lists (3)
Stars
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
Python Suite for Advanced General Ensemble Simulations
GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
https://github.com/kaieye/2022-Machine-Learning-Specialization
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.
pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.
I-ReaxFF: stand for Intelligent-Reactive Force Field