Alternatives and similar repositories for CIGIN:

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

• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆53Updated 2 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• devalab / MoleGuLAR
  Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards
  ☆24Updated 10 months ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• DirectMolecularConfGen / DMCG
  ☆52Updated 2 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆62Updated 3 years ago
• gicsaw / ARAE_SMILES
  ☆25Updated 4 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆71Updated 2 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆61Updated 3 weeks ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆75Updated 6 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆32Updated last year
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• wsjeon92 / morld
  ☆26Updated last year
• jaechanglim / GNN_DTI
  ☆66Updated 4 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆49Updated 2 months ago
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆28Updated 4 years ago
• juanniwu / t-SMILES
  ☆33Updated last week
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 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
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆68Updated 3 years ago
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆36Updated 5 years ago