Ecosyste.ms: Papers

An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.

Papers: 10.1186/s13321-019-0348-5

https://doi.org/10.1186/s13321-019-0348-5

QligFEP: an automated workflow for small molecule free energy calculations in Q

Cited by: 46
Author(s): Willem Jespers, Mauricio Esguerra, Johan Åqvist, Hugo Gutiérrez‐de‐Terán
Published: over 5 years ago

Software Mentions 2

pypi: LigParGen
Python script to provide BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.
Papers that mentioned: 20
pypi: scikit-learn
A set of python modules for machine learning and data mining
Papers that mentioned: 2,431