Isomorpfishm

Isomorpfishm's Stars

• webermarcolivier/statannot

  add statistical annotations (pvalue significance) on an existing boxplot generated by seaborn boxplot

  Language:Jupyter Notebook39475

• KULL-Centre/_2023_Tesei_IDRome

  Language:Jupyter Notebook325

• mshinn23/nardini

  Language:Python3

• KULL-Centre/CALVADOS

  Language:Python192

• Mjolnir-MD/Mjolnir

  :zap: general purpose coarse-grained molecular dynamics simulation package

  Language:C++326

• BioComputingUP/MobiDB-lite

  Long disorder consensus predictor

  Language:C9

• KULL-Centre/_2023_Blaabjerg_SSEmb

  Language:Jupyter Notebook91

• blondegeek/e3nn_tutorial

  repository and website for tutorials on 3d Euclidean equivariant neural networks

  Language:HTML6424

• NielsRogge/Transformers-Tutorials

  This repository contains demos I made with the Transformers library by HuggingFace.

  Language:Jupyter Notebook9.2k1.4k

• google-deepmind/alphafold

  Open source code for AlphaFold.

  Language:Python12.3k2.2k

• KULL-Centre/_2023_Pesce_IDPdesign

  Language:Jupyter Notebook31

• fteufel/signalp-6.0

  Multi-class signal peptide prediction and structure decoding model.

  Language:Python8014

• lijianing0902/CProMG

  Language:Python82

• mutwil/mutwillab

  Language:Python1

• FAIR-Chem/fairchem

  FAIR Chemistry's library of machine learning methods for chemistry

  Language:Python773242

• atomicarchitects/equiformer_v2

  [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

  Language:Python19826

• drorlab/gvp-pytorch

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

  Language:Python24247

• FlyingGiraffe/vnn

  Vector Neurons: A General Framework for SO(3)-Equivariant Networks

  Language:Python45247

• hwwang55/GraphGAN

  A tensorflow implementation of GraphGAN (Graph Representation Learning with Generative Adversarial Nets)

  Language:Python529163

• mir-group/nequip

  NequIP is a code for building E(3)-equivariant interatomic potentials

  Language:Python611135

• neel-dey/equivariant-gans

  [ICLR 2021] Group Equivariant Generative Adversarial Networks.

  Language:Python132

• Isomorpfishm/SINGA

  SINGA - Molecular Sampling with Protein-Ligand INteractions aware Generative Adversarial Network

  Language:Python2

• KevinCrp/HGScore

  A Heterogeneous Graph Convolutional Neural Network to score a protein-ligand complex.

  Language:Jupyter Notebook41

• PacktPublishing/Generative-Adversarial-Networks-Cookbook

  Language:Python10968

• freesasa/freesasa-python

  FreeSASA Python Module

  Language:Cython4512

• OptiMaL-PSE-Lab/DeepDock

  Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

  Language:Jupyter Notebook15726

• pengxingang/Pocket2Mol

  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

  Language:Python25870

• LPDI-EPFL/masif

  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

  Language:Python583154

• lucidrains/egnn-pytorch

  Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

  Language:Python41268

• vgsatorras/egnn

  Language:Python41675