nablaDFT

nablaDFT

AIRI-Institute

nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset

210 Stars
24 Forks
210 Watchers
Python Language
mit License
Cost to Build
$3.95M
Market Value
$11.27M

Growth over time

2 data points  ·  2023-03-01 → 2025-06-01
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What is the AIRI-Institute/nablaDFT GitHub project? Description: "nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset". Written in Python. Explain what it does, its main use cases, key features, and who would benefit from using it.

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How to clone nablaDFT

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git clone https://github.com/AIRI-Institute/nablaDFT.git

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Download master.zip

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