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ischemist
retrocast

a framework for ingesting, validating, canonicalizing, and adapting retrosynthesis model outputs to a unified benchmark standard.

384 23 3
JonasRackl
labmate-mcp

Your AI lab companion — 78 MCP tools for literature, compounds, synthesis, benchwork, peptides & publication writing

343 1 0
bruceunx
retroapi

A wrap retroapi package for retrosynthesis routes and exploring reaction conditions

328 0 0
rxn4chemistry
rxn-reaction-preprocessing

Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.

323 16 0
Taylor-C-Powell
molbuilder

Professional-grade molecular engineering toolkit: atoms to retrosynthesis to process engineering

194 7 0
Taylor-C-Powell
molbuilder-client

Python SDK for the MolBuilder REST API

161 7 0