AIRI-Institute / nablaDFT

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

Date Created 2022-08-18 (about a year ago)

Commits 365 (last one 6 days ago)

Stargazers 148 (5 this week)

Watchers 5 (0 this week)

Forks 15

License mit

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RepositoryStats indexes 534,551 repositories, of these AIRI-Institute/nablaDFT is ranked #208,083 (61st percentile) for total stargazers, and #317,223 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #36,669/103,470.

AIRI-Institute/nablaDFT is also tagged with popular topics, for these it's ranked: machine-learning (#3,670/7371), dataset (#436/1057), benchmark (#293/669)

Other Information

AIRI-Institute/nablaDFT has Github issues enabled, there are 3 open issues and 10 closed issues.

There have been 1 release, the latest one was published on 2024-06-11 (17 days 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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365 commits on the default branch (main) since jan '22

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updated: 2024-06-29 @ 01:28am, id: 526274994 / R_kgDOH15Rsg