Alternatives and similar repositories for PMAW

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

• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆28Updated last year
• fangleigit / RetroSub
  Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures
  ☆14Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• PNNL-CompBio / ML_UVvisModels
  ☆13Updated last year
• nichrun / e3_diffusion_for_molecules
  ☆10Updated 2 years ago
• KemperNiklas / FragNet
  Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  ☆19Updated 11 months ago
• UA-Libraries-Research-Data-Services / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆36Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• wangzhehyd / fastsmcg
  Data and code required to reach the main conclusions of the fastsmcg paper
  ☆10Updated 2 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆22Updated last year
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆33Updated 2 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆15Updated last year
• gfm-collab / chemprop-IR
  ☆26Updated 4 years ago
• ZiqiaoZhang / FraGAT
  FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
  ☆27Updated 4 years ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆24Updated 2 years ago
• jidushanbojue / GraphRXN
  GraphRXN
  ☆29Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• davidbuterez / multi-fidelity-gnns-for-drug-discovery-and-quantum-mechanics
  Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fideli…
  ☆30Updated 3 months ago
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• LCY02 / ABT-MPNN
  An atom-bond transformer-based message passing neural network for molecular property prediction.
  ☆37Updated 2 years ago
• MolecularAI / reaction-graph-link-prediction
  ☆16Updated last year
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 2 months ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• AI-HPC-Research-Team / SLM4Mol
  A quantitative benchmark and analysis of molecular large language models.
  ☆17Updated 4 months ago
• fate1997 / FFiNet
  Force field-inspired molecular representation learning model
  ☆21Updated 2 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 4 years ago