Projects: pypi: PyFraME
https://packages.ecosyste.ms/registries/pypi.org/packages/PyFraME
PyFraME: Python framework for Fragment-based Multiscale Embedding
5 versions
Latest release: about 5 years ago
84 downloads last month
Enhanced Analysis
Repository Activity:
README Analysis:
DOI Found
Science Score: 100/100
Starting Score: 100 points
Bonuses:
-
+4
Science terms in README
2 scientific terms found in README -
+30
DOI references
3 DOI references 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 PyFraME 3
10.3389/fmolb.2020.00111
Two-Photon Absorption Cross-Sections in Fluorescent Proteins Containing Non-canonical Chromophores Using Polarizable QM/MMCited by: 5
Author(s): Maria Rossano‐Tapia, Jógvan Magnus Haugaard Olsen, Alex Brown
Software Mentions: 2
Published: about 6 years ago
10.1021/acs.jctc.0c01323
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding ModelCited by: 5
Author(s): Karen Oda Hjorth Minde Dundas, Maarten T. P. Beerepoot, Magnus Ringholm, Simen Reine, Radovan Bast, Nanna Holmgaard List, Jacob Kongsted, Kenneth Ruud, Jógvan Magnus Haugaard Olsen
Software Mentions: 2
Published: about 5 years ago
10.1021/acs.jpclett.1c02031
Nitrogen <i>K</i>-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster MethodsCited by: 8
Author(s): Peter Reinholdt, Marta L. Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius
Software Mentions: 1
Published: almost 5 years ago