Alternatives and similar repositories for BCAI_kaggle_CHAMPS:

Users that are interested in BCAI_kaggle_CHAMPS are comparing it to the libraries listed below

• antorsae / champs-scalar-coupling
  Gold medal #2 Kaggle "Predicting Molecular Properties" compatition
  ☆61Updated 5 years ago
• robinniesert / kaggle-champs
  Code for the CHAMPS Predicting Molecular Properties Kaggle competition
  ☆52Updated 5 years ago
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• SeongokRyu / Molecular-GAT
  Molecular-GAT
  ☆21Updated 6 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 4 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆77Updated last year
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆96Updated 4 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆97Updated 4 years ago
• lucidrains / molecule-attention-transformer
  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
  ☆58Updated 4 years ago
• flawnson / Graph_convolutional_NN_molecule_maker
  A Graph Neural Network (Geometric machine learning) for molecular generation
  ☆20Updated 5 years ago
• SeongokRyu / augmented-GCN
  ☆58Updated 6 years ago
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆244Updated 5 years ago
• toshi-k / kaggle-champs-scalar-coupling
  19th place solution in "Predicting Molecular Properties"
  ☆25Updated 5 years ago
• gmum / huggingmolecules
  ☆122Updated last year
• benatorc / PA-Graph-Transformer
  ☆42Updated last year
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆35Updated 2 years ago
• bioinf-jku / FCD
  Fréchet ChemNet Distance: A quality measure for generative models for molecules
  ☆76Updated last year
• pfnet-research / bayesgrad
  BayesGrad: Explaining Predictions of Graph Convolutional Networks
  ☆63Updated 3 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆92Updated 2 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• 99andBeyond / Apollo1060
  Data and models (with prediction scripts) used in publications related to Apollo1060 platform
  ☆64Updated 9 months ago
• larsbratholm / champs_kaggle
  Collection of code and data related to the CHAMPS kaggle competition
  ☆10Updated 2 years ago
• songlab-cal / tape-neurips2019
  Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…
  ☆120Updated 3 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆66Updated 2 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• lucidrains / tr-rosetta-pytorch
  Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design
  ☆79Updated 3 years ago
• songlab-cal / factored-attention
  This repository contains code for reproducing results in our paper Interpreting Potts and Transformer Protein Models Through the Lens of …
  ☆58Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago
• divelab / MoleculeX
  ☆165Updated 3 years ago
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆36Updated 2 years ago