chemprop
importedtherapeutics/chemprop
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/aamini/chemprop
- Documentation
- unknown
- Tags
- active-learning · bayesian-optimization · chemistry · drug-discovery · evidential-deep-learning · molecule · neural-network · uncertainty
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- sdl-frameworkactive-learning · bayesian-optimization · drug-discovery
A reproducible framework for closed-loop experimental optimization using self-driving laboratory principles and Bayesian optimization.
- MT-ENetdrug-discovery · evidential-deep-learning
Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022
- bofireactive-learning · bayesian-optimization
Experimental design and (multi-objective) bayesian optimization.
- summitbayesian-optimization · chemistry · drug-discovery
Optimising chemical reactions using machine learning
- DeepB3P3drug-discovery · uncertainty
Masked peptides for low-data peptide drug discovery (BiB 2023)
- chempleterchemistry · drug-discovery · molecule
Chempleter is a lightweight generative model to predict syntactically valid extensions of molecular structures.
- api.github.com/repos/aamini/chempropretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2021-07-29, 135 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/45.json→ .entries["chemprop"]
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