Projects: pypi: QuickFF
https://packages.ecosyste.ms/registries/pypi.org/packages/QuickFF
Python library to quickly derive force fields from ab initio training data.
1 version
Latest release: over 6 years ago
2 dependent packages
18 downloads last month
Enhanced Analysis
Repository Activity:
Repository Owner:
Center for Molecular Modeling (CMM), Ghent University (organization)
Academic
README Analysis:
Science Score: 100/100
Starting Score: 100 points
Bonuses:
-
+20
Academic repository owner
Repository owned by academic institution -
+15
Institutional repository owner
Repository owned by research institution -
+2
Science terms in README
1 scientific terms found in README
Penalties:
-
-10
PyPI ecosystem
General-purpose ecosystem -
-10
No science terms in description
No scientific terms found in description
Very Likely Science (100)
Papers Mentioning QuickFF 3
10.1039/c5sc02794b
Mechanical energy storage performance of an aluminum fumarate metal–organic frameworkCited by: 97
Author(s): Pascal G. Yot, Louis Vanduyfhuys, Elsa Alvarez, Julien Rodriguez, Jean‐Paul Itié, Paul Fabry, Nathalie Guillou, Thomas Devic, Isabelle Beurroies, Philip L. Llewellyn, Véronique Van Speybroeck, Christian Serre, Guillaume Maurin
Software Mentions: 1
Published: over 10 years ago
10.1039/c7cs00033b
Metal–organic and covalent organic frameworks as single-site catalystsCited by: 820
Author(s): Sven M. J. Rogge, Anastasiya Bavykina, Julianna Hajek, Hermenegildo Garcı́a, Alma I. Olivos Suarez, A. Sepúlveda-Escribano, Alexandré Vimont, Guillaume Clet, Philippe Bazin, Freek Kapteijn, Marco Daturi, Enrique V. Ramos‐Fernández, Françesc X. Llabrés i Xamena, Véronique Van Speybroeck, Jorge Gascón
Software Mentions: 1
Published: over 9 years ago
10.3389/fchem.2021.718920
Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)Cited by: 11
Author(s): Sander Vandenhaute, Sven M. J. Rogge, Véronique Van Speybroeck
Software Mentions: 1
Published: almost 5 years ago