Alternatives and similar repositories for DyRAMO

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

• molML / RUSH
  ☆12Updated 4 months ago
• grzsko / ASAP
  ☆14Updated 2 years ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆18Updated 6 months ago
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• EBjerrum / pdchemchain
  Rapid construction of chemical pipelines in interactive notebooks and cli usage
  ☆12Updated 9 months ago
• sekijima-lab / DiffInt
  ☆17Updated last month
• oxpig / MolSnapper
  ☆48Updated 2 months ago
• toshikiochiai / NPVAE
  ☆23Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• arwalkerlab / AutoParams
  ☆27Updated last year
• Hwoo-Kim / DeepBioisostere
  Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
  ☆18Updated 2 weeks ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆18Updated 9 months ago
• ohuelab / PairMap
  PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…
  ☆11Updated 2 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆26Updated 3 months ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆36Updated last year
• HParklab / DENOISer
  Discriminator for Model Docking
  ☆10Updated 6 months ago
• JenniferKim09 / FFLOM
  ☆15Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆29Updated last month
• litfsindt / LIT-SpaceDock
  ☆16Updated last year
• f-rianjongdee / bbSelect
  ☆12Updated last year
• RPirie96 / RGMolSA
  ☆34Updated last year
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆25Updated this week
• MolecularAI / maize-contrib
  Contributed and additional nodes for maize
  ☆15Updated 3 months ago
• MolecularAI / exahustive_search_mol2mol
  ☆11Updated 9 months ago
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆16Updated last month