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REINVENT4 Public
Forked from MolecularAI/REINVENT4AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Python Apache License 2.0 UpdatedMar 11, 2025 -
bitbirch Public
Forked from mqcomplab/bitbirchBitBIRCH clustering algorithm
Python GNU Lesser General Public License v3.0 UpdatedFeb 28, 2025 -
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quantum_fruit_salad Public
"It's kind of a cosmic gumbo." A collection of code from my PhD candidacy.
Python UpdatedDec 5, 2024 -
stoned-selfies Public
Forked from aspuru-guzik-group/stoned-selfiesThis repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
Jupyter Notebook UpdatedOct 8, 2024 -
cloud_haiku Public
Forked from do-community/cloud_haikuCommunity-made poetry about infrastructure
HTML MIT License UpdatedOct 25, 2023 -
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