AIRI-Institute / nablaDFT

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

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

Commits 384 (last one 19 days ago)

Stargazers 179 (0 this week)

Watchers 5 (0 this week)

Forks 17

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RepositoryStats indexes 595,856 repositories, of these AIRI-Institute/nablaDFT is ranked #195,971 (67th percentile) for total stargazers, and #335,688 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #35,189/119,431.

AIRI-Institute/nablaDFT is also tagged with popular topics, for these it's ranked: machine-learning (#3,560/8063), dataset (#403/1165), benchmark (#296/777)

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 (6 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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updated: 2024-12-17 @ 11:59am, id: 526274994 / R_kgDOH15Rsg