@BioinfoMachineLearning
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BioinfoMachineLearning

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  • Stars
    star
    183
  • Global Org. Rank 42,380 (Top 14 %)
  • Registered about 3 years ago
  • Most used languages
    Python
         81.0 %
    Jupyter Notebook
         14.3 %
    Shell
         4.8 %

Top repositories

1

bio-diffusion

A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)
Python
179
star
2

PoseBench

Comprehensive benchmarking of protein-ligand structure generation methods (ICML 2024 AI4Science)
Jupyter Notebook
77
star
3

DeepInteract

A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
Python
63
star
4

cryoppp

The programs of creating cryo-EM particle picking datasets
Python
59
star
5

DIPS-Plus

The Enhanced Database of Interacting Protein Structures for Interface Prediction
Python
46
star
6

GCPNet

A PyTorch implementation of Geometry-Complete SE(3)-Equivariant Perceptron Networks (GCPNets)
Python
40
star
7

CryoVirusDB

A dataset of labeled virus particles in cryo-EM micrographs (images) for training and testing machine learning methods of virus particle picking
Python
25
star
8

MULTICOM3

The software system of improving AlphaFold2- and AlphaFold-Multimer-based protein tertiary & quaternary structure prediction. It was developed by the Bioinformatics and Machine Learning Lab at the University of Missouri. It was blindly tested in CASP15 and ranked among the best server predictors in 2022. It improves AlphaFold's accuracy by 5-10%.
Python
23
star
9

ATOMRefine

3D equivariant graph transformer for all-atom refinement of protein tertiary structures
Python
17
star
10

DeepRefine

A geometric deep learning method for refining and assessing protein complex structures.
Python
15
star
11

CDPred

Deep transformer for predicting interchain residue-residue distances of protein complexes
Python
12
star
12

cryo2struct

The programs for preprocessing cryo-EM density maps for machine learning
Python
12
star
13

EnQA

A 3D-equivariant neural network for protein structure accuracy estimation
Shell
11
star
14

GCDM-SBDD

A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)
Python
7
star
15

GCPNet-EMA

Protein Structure Accuracy Estimation using Geometry-Complete Perceptron Networks (Protein Science 2024)
Python
6
star
16

DProQ

Deep learning prediction of protein complex structure quality
Python
6
star
17

TransFew

Transformer for protein function prediction (version 2)
Jupyter Notebook
6
star
18

deep-learning-hpc-project-template

A PyTorch Lightning project template adapted for high-performance computing clusters such as Summit and Fugaku
Python
5
star
19

MULTICOM_qa

Evaluate the quality of protein multimer structure models
Python
4
star
20

FunBench

The programs and data for benchmarking protein function site prediction methods
Jupyter Notebook
1
star
21

BML_HiC_Data_Analysis

A set of tools for Hi-C data analysis developed by Bioinformatics and Machine Learning Lab
Python
1
star