Alternatives and similar repositories for DiversityNet

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

• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆39Updated 10 months 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
• pfnet-research / BMI219-2017-ProteinFolding
  UCSF BMI219 Deep Learning (2017), Coding example (Prediction of protein folding with RNN and CNN)
  ☆16Updated 8 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆36Updated 2 years ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 4 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆67Updated 2 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• LamUong / Generate-novel-molecules-with-LSTM
  Novel molecules generation with LSTM
  ☆18Updated 5 years ago
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• yangkevin2 / coronavirus_data
  ☆81Updated last year
• pfnet-research / hierarchical-molecular-learning
  Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
  ☆14Updated 7 years ago
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆92Updated 5 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 3 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 years ago
• googleinterns / protein-embedding-retrieval
  ☆34Updated 5 years ago
• BojarLab / SweetNet
  Graph convolutional neural networks for analyzing glycans [LEGACY; use glycowork implementation]
  ☆17Updated 4 years ago
• deepchem / moleculenet
  Moleculenet.ai Datasets And Splits
  ☆104Updated 4 years ago
• nyu-dl / conditional-molecular-design-ssvae
  ☆50Updated last year
• facebookresearch / protein-ebm
  Energy-based models for atomic-resolution protein conformations
  ☆100Updated 3 years ago
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆62Updated last year
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated 2 years ago
• lucidrains / equiformer-diffusion
  Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…
  ☆56Updated 2 years ago
• BenevolentAI / MolBERT
  ☆142Updated 4 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆156Updated 6 years ago
• lucidrains / geometric-vector-perceptron
  Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…
  ☆75Updated 4 years ago
• topazape / LSTM_Chem
  Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
  ☆117Updated 2 years ago
• bioinf-jku / FCD
  Fréchet ChemNet Distance: A quality measure for generative models for molecules
  ☆85Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• AI4PFAS / AI4PFAS
  Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"
  ☆22Updated 2 years ago
• kangway / mlchempapers
  A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.
  ☆14Updated 8 years ago