Dror Lab

Dror Lab's repositories

atom3d

ATOM3D: tasks on molecules in three dimensions

Language:PythonMIT291 16 60

gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

Language:PythonNOASSERTION223 12 9

gvp

Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure

Language:PythonNOASSERTION121 9 3

DIPS

Database of Interacting Protein Structures (DIPS)

Language:PythonMIT89 17 8

pensa

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

Language:PythonMIT81 13 20

combind

Integrated physics-based and ligand-based modeling.

Language:PythonNOASSERTION5900

FRAME

Fragment-based Molecular Expansion

Language:PythonNOASSERTION1600

GPCR-mining

Functions to scrape GPCR data from the web.

Language:PythonMIT15 90

tf-singularity

Tensorflow singularity container

Language:ShellApache-2.014 6 2

GLOW_IVES

Language:PythonMIT13 8 1

edn

PyTorch implementation of EDN

Language:PythonMIT6 8 1

gert

Language:Jupyter Notebook6 7 1

atom3

Atomic Data Processing

Language:PythonMIT5 50

dabble

Membrane protein builder and parameterizer

Language:Rich Text FormatGPL-2.05 50

adaptive_sampling

Implementation contained in "How effectively can adaptive sampling methods capture spontaneous ligand binding"

Language:PythonGPL-2.02 60

cormorant

Codebase for Cormorant Neural Networks

Language:PythonNOASSERTION2 40

med15

Language:Jupyter Notebook2 80

arrestin-ensembles

Language:Python1 80

scripts

General purpose scripts for Dror Lab use

Language:Shell1 60

viparr2charmm

Language:Python100

bgmol

Molecular mechanics systems and simulation data

Language:PythonMIT000

e3nn_edn

EDN-specific adaptation of E3NN

Language:PythonNOASSERTION090