Dror Lab

enhanced-sampling-explorer Public
Interactive web tool to explore enhanced sampling methods (metadynamics, REMD, SAMS, weighted ensemble, steered MD, umbrella sampling) on a simple test system

drorlab/enhanced-sampling-explorer's past year of commit activity

Python 0 MIT 0 0 0 Updated Sep 30, 2026
conformix Public

drorlab/conformix's past year of commit activity

Python 24 MIT 5 0 2 Updated Dec 14, 2025
py2Dmol Public Forked from sokrypton/py2Dmol
Fork of sokrypton/py2Dmol with customized functionality.

drorlab/py2Dmol's past year of commit activity

Jupyter Notebook 0 13 0 0 Updated Nov 29, 2025
gvp-pytorch Public
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

drorlab/gvp-pytorch's past year of commit activity

Python 329 57 8 1 Updated Nov 15, 2025
drorlab_PLMs Public
plms for general lab usage

drorlab/drorlab_PLMs's past year of commit activity

Python 0 0 0 0 Updated Oct 29, 2025

revbind Public Forked from drorlab/combind

Scoring structural models with predicted poses of known ligands

Python 2 15 0 0 Updated Oct 27, 2025

combind Public

Integrated physics-based and ligand-based modeling.

Python 70 15 3 0 Updated Oct 27, 2025

pensa Public

PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

Python 152 MIT 25 5 0 Updated Feb 12, 2025

dabble Public Forked from Eigenstate/dabble

Membrane protein builder and parameterizer

Rich Text Format 6 GPL-2.0 8 0 0 Updated Jan 30, 2024

DIPS Public

Database of Interacting Protein Structures (DIPS)

Python 106 MIT 15 7 1 Updated Jan 26, 2024

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