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PaulsonLab

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SPARKLE SPARKLE Public

This repository containts the information about the SPARKLE framework

Python 6
MOBONS MOBONS Public

Python 4 1

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Showing 10 of 21 repositories

Generative_MOBO_qPMHI Public
Generative MOBO paper code

PaulsonLab/Generative_MOBO_qPMHI’s past year of commit activity

Python 1 0 0 0 Updated Dec 19, 2025
gat_transition_model Public

PaulsonLab/gat_transition_model’s past year of commit activity

Python 0 0 0 0 Updated Dec 17, 2025
JMR Public

PaulsonLab/JMR’s past year of commit activity

0 0 0 0 Updated Dec 12, 2025
pc_transition_delta_multistep Public

PaulsonLab/pc_transition_delta_multistep’s past year of commit activity

Jupyter Notebook 0 1 0 0 Updated Nov 24, 2025
BONSAI Public

PaulsonLab/BONSAI’s past year of commit activity

Python 2 MIT 0 0 0 Updated Oct 16, 2025
BO4MD Public
Bayesian Optimization for Automated Molecular Dynamics Simulations

PaulsonLab/BO4MD’s past year of commit activity

Python 0 MIT 0 0 0 Updated Sep 24, 2025
BAX4MD Public
Code for MD-BAX paper

PaulsonLab/BAX4MD’s past year of commit activity

Jupyter Notebook 0 MIT 0 0 0 Updated Sep 23, 2025
MaveDB_Challenge Public

PaulsonLab/MaveDB_Challenge’s past year of commit activity

0 0 0 0 Updated Sep 17, 2025
MolDAIS Public
Molecular Descriptors with Actively Identified Subsets

PaulsonLab/MolDAIS’s past year of commit activity

Jupyter Notebook 16 MIT 0 0 0 Updated Aug 25, 2025
TorchSISSO Public

PaulsonLab/TorchSISSO’s past year of commit activity

Python 29 MIT 5 3 2 Updated Aug 13, 2025

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