Alternatives and similar repositories for NERF

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

• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 5 years ago
• coleygroup / Graph2SMILES
  ☆60Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• papercodekl / MolecularGET
  ☆16Updated 5 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 3 years ago
• otori-bird / retrosynthesis
  ☆70Updated last year
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆24Updated 10 months ago
• jfjoung / mechanism_prediction
  ☆28Updated last year
• coleygroup / openretro
  ☆22Updated 2 years ago
• wenhao-gao / synformer
  ☆51Updated 8 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆66Updated 9 months ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆54Updated 5 months ago
• m-mokaya / RIOP
  ☆16Updated 2 years ago
• Jamson-Zhong / Graph2Edits
  ☆33Updated 2 years ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆34Updated last year
• MIRALab-USTC / AI4Sci-MiCaM
  This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…
  ☆56Updated 8 months ago
• juanniwu / t-SMILES
  ☆35Updated 5 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated last month
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆35Updated 2 years ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆63Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆64Updated last year
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• PKUMDL-AI / AutoSynRoute
  ☆44Updated 5 years ago
• bytedance / DecompOpt
  ☆15Updated 10 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆20Updated 2 years ago