Alternatives and similar repositories for CASP-and-dataset-performance:

Users that are interested in CASP-and-dataset-performance are comparing it to the libraries listed below

• lich-uct / syba
  Synthetic Bayesian Classification
  ☆41Updated 4 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 6 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated 9 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated 3 weeks ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆21Updated 4 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 6 months ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• iipharma / pharmamind-molminer
  PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…
  ☆25Updated 2 years ago
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆17Updated 4 years ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• grzsko / ASAP
  ☆13Updated 2 years ago
• czodrowskilab / x-fp
  ☆16Updated last year
• coleygroup / openretro
  ☆24Updated last year
• ASKCOS / askcos-data
  Data and model repository for the ASKCOS application
  ☆16Updated 3 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 10 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆72Updated 9 months ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated 8 months ago
• rdkit / PREFER
  ☆28Updated last year
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆34Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆20Updated last year
• LindeSchoenmaker / SMILES-corrector
  ☆26Updated last year
• hesther / templatecorr
  Hierarchical template correction for chemical reactions
  ☆14Updated 8 months ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆13Updated 2 months ago