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: 10.1039/d1sc01185e

https://doi.org/10.1039/d1sc01185e

Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solution

Cited by: 12
Author(s): Marcus Wieder, Josh Fass, John D. Chodera
Published: over 3 years ago

Software Mentions 4

cran: orca

Computation of Graphlet Orbit Counts in Sparse Graphs
Papers that mentioned: 6

pypi: orca

Python library for task orchestration
Papers that mentioned: 6

pypi: pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR) method
Papers that mentioned: 12

pypi: scipy

Fundamental algorithms for scientific computing in Python
Papers that mentioned: 1,071