output
20172025
most citedQuantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

171 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2023Show all

1 paper · 1 filter

physics.chem-ph2023★ 70 cited

MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows

Pavlo O. Dral, Fuchun Ge, Yi-Fan Hou +15

Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framewor…