Alternatives and similar repositories for GENTRL

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

• molecularsets / moses
  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
  ☆898Updated 11 months ago
• isayev / ReLeaSE
  Deep Reinforcement Learning for de-novo Drug Design
  ☆361Updated 3 years ago
• aqlaboratory / proteinnet
  Standardized data set for machine learning of protein structure
  ☆895Updated 4 years ago
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆438Updated 2 years ago
• MarcusOlivecrona / REINVENT
  Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
  ☆325Updated 3 years ago
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆458Updated last year
• aspuru-guzik-group / chemical_vae
  Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
  ☆523Updated 2 years ago
• benstaf / ChemGAN-challenge
  Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.
  ☆113Updated 2 years ago
• tbepler / protein-sequence-embedding-iclr2019
  Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
  ☆260Updated 4 years ago
• aqlaboratory / rgn
  Recurrent Geometric Networks for end-to-end differentiable learning of protein structure
  ☆327Updated 5 years ago
• Urinx / alphafold_pytorch
  An implementation of the DeepMind's AlphaFold based on PyTorch for research
  ☆396Updated 4 years ago
• dellacortelab / prospr
  ProSPr: Protein Structure Prediction
  ☆419Updated 2 years ago
• biolib / openprotein
  A PyTorch framework for prediction of tertiary protein structure
  ☆187Updated 4 years ago
• LeeJunHyun / Database-Resources-for-Drug-Discovery
  The Databases for Drug Discovery (DDD)
  ☆143Updated 6 years ago
• wengong-jin / icml18-jtnn
  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
  ☆527Updated 2 years ago
• aspuru-guzik-group / selfies
  Robust representation of semantically constrained graphs, in particular for molecules in chemistry
  ☆759Updated last month
• pschwllr / MolecularTransformer
  ☆378Updated 3 years ago
• Mariewelt / OpenChem
  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
  ☆714Updated last year
• deepchem / DeepLearningLifeSciences
  Example code from the book "Deep Learning for the Life Sciences"
  ☆372Updated 3 years ago
• DSPsleeporg / smiles-transformer
  Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…
  ☆339Updated 2 years ago
• MolecularAI / Reinvent
  ☆355Updated last month
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆200Updated 4 years ago
• hypnopump / MiniFold
  MiniFold: Deep Learning for Protein Structure Prediction inspired by DeepMind AlphaFold algorithm
  ☆208Updated 4 years ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆660Updated last year
• kexinhuang12345 / DeepPurpose
  A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
  ☆1,057Updated last year
• samoturk / mol2vec
  Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
  ☆269Updated 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
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆246Updated 5 years ago
• jonathanking / sidechainnet
  An all-atom protein structure dataset for machine learning.
  ☆353Updated last year
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆372Updated 2 years ago