Brown Lab @ Vanderbilt
- 9 followers
- United States of America
- https://www.bpbrownlab.org/
- benjamin.p.brown@vanderbilt.edu
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ncaa_workflow
ncaa_workflow PublicScripts repository for Rosetta and MD simulation NCAA parameterization workflows
Python 4
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bcl
bcl PublicForked from BCLCommons/bcl
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…
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rosetta
rosetta PublicForked from RosettaCommons/rosetta
The Rosetta Bio-macromolecule modeling package.
C++
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Repositories
- ncaa_workflow Public
Scripts repository for Rosetta and MD simulation NCAA parameterization workflows
- efficient-kan Public Forked from Blealtan/efficient-kan
An efficient pure-PyTorch implementation of Kolmogorov-Arnold Network (KAN).
- CORDIAL Public
Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with attention learning (CORDIAL).
- bcl Public Forked from BCLCommons/bcl
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The cheminformatics toolkit contains customizable tools for the design, processing, and analysis of small molecules for computer-aided drug discovery.
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