11 projects
prodock
ProDock — automation utilities for molecular docking workflows.
synkit
Utility for reaction modeling using graph grammar
synagent
Utility for reaction modeling using graph grammar
synrfp
Reaction fingerprint
synrxn
Reaction Database for benchmarking
partialaams
PartialAAMs provides a benchmarking framework for evaluating the effectiveness of Partial Atom-Atom Mappings (AAMs) extensions. It simplifies the generation, manipulation, and testing of AAMs for chemical reactions.
synrecon
Utility for reaction modeling using graph grammar
proqsar
ProQSAR — automation utilities for QSAR workflows (standardization, featurization, model building & evaluation).
rxndb-bench
Reaction Database for benchmarking
syntemp
Graph-based reaction templates extraction
synutility
Utility for reaction modeling using graph grammar
