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AMPL-1
AMPL-1 PublicForked from ATOMScience-org/AMPL
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
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NCI-DOE-Collab-Pilot1-Semi-Supervised-Feature-Learning-with-Center-Loss
NCI-DOE-Collab-Pilot1-Semi-Supervised-Feature-Learning-with-Center-Loss PublicForked from CBIIT/NCI-DOE-Collab-Pilot1-Semi-Supervised-Feature-Learning-with-Center-Loss
Python
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torchani
torchani PublicForked from aiqm/torchani
Accurate Neural Network Potential on PyTorch
Python
68 contributions in the last year
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Contribution activity
April 2025
Created a pull request in ATOMScience-org/AMPL that received 1 comment
Feature rdkit_scaled and mordred_filtered_scaled feature sets
This is built off of PR396. This contains new versions of rdkit and mordred features where certain features are scaled by the number of heavy atoms…