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Molecule One (molecule-one)

Molecule One

molecule-one

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Home Page:https://molecule.one

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Molecule One's repositories

megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

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m1wrapper-python

Molecule One API Wrapper

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api

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mlinpl-23-workshops

Workshop for MLinPL 2023 on de novo drug discovery with synthesizability in mind.

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cargo-chef

A cargo-subcommand to speed up Rust Docker builds using Docker layer caching.

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dagre-plus

Directed graph layout for JavaScript

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TinyTemplate

A small, lightweight template engine

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