Alternatives and similar repositories for Molecular_Generating_RNN-LSTM

Users that are interested in Molecular_Generating_RNN-LSTM are comparing it to the libraries listed below

• devalab / MoleGuLAR
  Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
  ☆24Updated last year
• aksub99 / molecular-vae
  Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆65Updated 4 years ago
• devalab / CIGIN
  AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
  ☆35Updated 3 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆53Updated 6 months ago
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆30Updated 4 years ago
• wenhao-gao / SynNet
  ☆90Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• YunjaeChoi / vaemols
  Variational Autoencoder for Molecules
  ☆30Updated 6 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
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆64Updated 3 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆54Updated 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
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆66Updated 4 months ago
• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…
  ☆67Updated 3 months ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• yuyangw / iMolCLR
  Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …
  ☆19Updated 2 years ago
• insilicomedicine / fcd_torch
  Fréchet ChemNet Distance on PyTorch
  ☆52Updated 6 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated 2 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆33Updated last year
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 2 years ago
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆60Updated last year
• bayeslabs / genmol
  Molecular Structure Generation
  ☆30Updated 11 months ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆74Updated 2 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆99Updated 4 years ago