Alternatives and similar repositories for DiversityNet

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

• lucidrains / molecule-attention-transformer
  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
  ☆58Updated 5 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆67Updated 3 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 5 years ago
• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆39Updated last year
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 5 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 / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 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
• 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
• yangkevin2 / coronavirus_data
  ☆81Updated 2 years ago
• googleinterns / protein-embedding-retrieval
  ☆34Updated 5 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆62Updated 2 years ago
• facebookresearch / protein-ebm
  Energy-based models for atomic-resolution protein conformations
  ☆100Updated 3 years ago
• mdtraj / tftraj
  Molecular dynamics trajectory analysis in Tensorflow
  ☆37Updated 8 years ago
• bioinf-jku / FCD
  Fréchet ChemNet Distance: A quality measure for generative models for molecules
  ☆85Updated last year
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆31Updated 2 years ago
• LamUong / Generate-novel-molecules-with-LSTM
  Novel molecules generation with LSTM
  ☆18Updated 5 years ago
• BenevolentAI / MolBERT
  ☆146Updated 4 years ago
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆92Updated 5 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• kangway / mlchempapers
  A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.
  ☆14Updated 8 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…
  ☆76Updated 4 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆65Updated 3 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• lucidrains / equiformer-diffusion
  Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…
  ☆57Updated 2 years ago