Alternatives and similar repositories for SynNet

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

• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆71Updated 9 months ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated last month
• MolecularAI / pysmilesutils
  Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
  ☆83Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆83Updated 5 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 3 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆49Updated 3 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated this week
• jrwnter / mso
  Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…
  ☆81Updated 4 years ago
• shuyana / DiffusionProteinLigand
  ☆78Updated last year
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆92Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆109Updated 2 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆55Updated 2 months ago
• DirectMolecularConfGen / DMCG
  ☆60Updated 3 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• aspuru-guzik-group / group-selfies
  ☆71Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆69Updated 3 years ago
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆35Updated 4 years ago
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆66Updated last month
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• bytedance / markov-molecular-sampling
  ☆57Updated 3 years ago
• gnina / models
  Trained caffe models
  ☆97Updated 2 years ago
• oxpig / DeLinker
  ☆133Updated 3 years ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆64Updated 6 months ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago