AIRI-Institute / nablaDFT

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

Date Created 2022-08-18 (2 years ago)

Commits 383 (last one 27 days ago)

Stargazers 171 (2 this week)

Watchers 5 (0 this week)

Forks 17

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RepositoryStats indexes 584,353 repositories, of these AIRI-Institute/nablaDFT is ranked #199,999 (66th percentile) for total stargazers, and #332,313 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #35,730/116,326.

AIRI-Institute/nablaDFT is also tagged with popular topics, for these it's ranked: machine-learning (#3,603/7926), dataset (#422/1138), benchmark (#297/756)

Other Information

AIRI-Institute/nablaDFT has Github issues enabled, there are 5 open issues and 12 closed issues.

There have been 1 release, the latest one was published on 2024-06-11 (5 months ago) with the name v1.0.

Homepage URL: https://doi.org/10.1039/D2CP03966D

All Topics

dft dataset benchmark machine-learning quantum-chemistry molecular-modeling density-functional-theory

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383 commits on the default branch (main) since jan '22

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updated: 2024-11-20 @ 03:02pm, id: 526274994 / R_kgDOH15Rsg