Topic

Computational Chemistry

2 items across the graph — tagged with Computational Chemistry.

From the graph · 2

mir-group/nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

dralgroup/mlatom

AI-enhanced computational chemistry

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deep-learning 2 machine-learning 2 computational-chemistry 2 atomistic-simulations 1 force-fields 1 kernel-ridge-regression 1 molecular-dynamics 1 neural-network 1 kernel-method 1 quantum-chemistry-programs 1 artificial-intelligence 1 drug-discovery 1

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