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Papers: 10.1186/s13321-021-00536-w

https://doi.org/10.1186/s13321-021-00536-w

Learning protein-ligand binding affinity with atomic environment vectors

Cited by: 21
Author(s): Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin
Published: almost 4 years ago

Software Mentions 6

bioconductor: ADAM
ADAM: Activity and Diversity Analysis Module
Papers that mentioned: 482
Very Likely Science (100)
pypi: MDAnalysis
An object-oriented toolkit to analyze molecular dynamics trajectories.
Papers that mentioned: 182
Very Likely Science (100)
pypi: pandas
Powerful data structures for data analysis, time series, and statistics
Papers that mentioned: 640
Very Likely Science (100)
pypi: pytest
pytest: simple powerful testing with Python
Papers that mentioned: 16
Very Likely Science (80)
pypi: scikit-learn
A set of python modules for machine learning and data mining
Papers that mentioned: 2,431
Very Likely Science (100)
pypi: seaborn
Statistical data visualization
Papers that mentioned: 283
Very Likely Science (100)