Dror Lab (@drorlab)
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Top repositories

1

atom3d

ATOM3D: tasks on molecules in three dimensions
Python
295
star
2

gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
Python
236
star
3

gvp

Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure
Python
127
star
4

DIPS

Database of Interacting Protein Structures (DIPS)
Python
89
star
5

pensa

PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
Python
81
star
6

combind

Integrated physics-based and ligand-based modeling.
Python
44
star
7

FRAME

Fragment-based Molecular Expansion
Python
16
star
8

GPCR-mining

Functions to scrape GPCR data from the web.
Python
15
star
9

tf-singularity

Tensorflow singularity container
Shell
14
star
10

gert

Jupyter Notebook
6
star
11

atom3

Atomic Data Processing
Python
5
star
12

adaptive_sampling

Implementation contained in "How effectively can adaptive sampling methods capture spontaneous ligand binding"
Python
2
star
13

med15

Jupyter Notebook
2
star
14

edn_rel

PyTorch implementation of EDN
Python
2
star
15

arrestin-ensembles

Python
1
star