uq4dd

Category

Therapeutics

Subcategory

unknown

License

Apache-2.0(osi)

Status

maintained

Maturity

deployed

Organization

MolecularAI

Country

unknown

Homepage

unknown

Repository

github.com/MolecularAI/uq4dd

Documentation

unknown

Tags

deep-learning · drug-discovery · molecular-property-prediction · probability-calibration · uncertainty-quantification

Regulatory

unknown

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

• MT-ENetdrug-discovery · uncertainty-quantification

  Repository for "Improving evidential deep learning via multi-task learning," published in AAAI2022

• ALineMolmolecular-property-prediction

  Exploring performance of machine learning model on out-of-distribution data in chemical domain

• generative-odormolecular-property-prediction

  Official implementation of "Navigating the Fragrance space Via Graph Generative Models And Predicting Odors". This repo is for generative models for designing odor molecules

• TwinBoostermolecular-property-prediction

  Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.

• uvvismlmolecular-property-prediction

  Predict optical properties of molecules with machine learning.

• flavormancermolecular-property-prediction

  Predict taste & aroma from a molecule's chemical structure — on-prem flavor prediction for food, beverage & fragrance R&D. 🧪

1. api.github.com/repos/MolecularAI/uq4dd
   retrieved 2026-08-25 · via github-api

   Machine-imported from GitHub search. Last push 2025-08-04, 19 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.

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