Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.
β42Jun 7, 2021Updated 4 years ago
Alternatives and similar repositories for uncertainty_benchmarking
Users that are interested in uncertainty_benchmarking are comparing it to the libraries listed below
Sorting:
- β14Oct 7, 2022Updated 3 years ago
- π Codebase for the ICML '20 paper "Ready Policy One: World Building Through Active Learning" (arxiv: 2002.02693)β18Jul 6, 2023Updated 2 years ago
- Simplistic Pytorch Implementation of the Dreamer-RLβ20May 7, 2025Updated 9 months ago
- β25Jan 22, 2025Updated last year
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtmlβ¦β51Dec 8, 2022Updated 3 years ago
- active learning for accelerated high-throughput virtual screeningβ201Jun 15, 2024Updated last year
- A python package for spectral deconvolution of UV-Vis waveformsβ14Jul 1, 2021Updated 4 years ago
- [AAAI 2021 Workshop] The official repository for the LST-MAP model for few-shot image classification.β13Feb 12, 2021Updated 5 years ago
- Probabilistic inference for models of behaviourβ10Oct 13, 2025Updated 4 months ago
- Benchmarks for Model-Based Optimizationβ97Apr 21, 2024Updated last year
- General framework for Bayesian inversion of continuous hierarchical modelsβ10Sep 20, 2021Updated 4 years ago
- An implementation of DreamerV2 written in JAX, with support for running multiple random seeds of an experiment on a single GPU.β18Jan 16, 2023Updated 3 years ago
- β10Jul 16, 2021Updated 4 years ago
- Sequential Monte Carlo sampler for PyMC2 models.β13Apr 4, 2018Updated 7 years ago
- Helpers for working with pymatgen structure graphs.β12Feb 4, 2025Updated last year
- The latest stable release for the crystal structure prediction code FUSEβ13Oct 28, 2025Updated 4 months ago
- An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric Retrievalβ12Feb 26, 2019Updated 7 years ago
- Message Passing Neural Networks for Molecule Property Predictionβ11Jan 17, 2020Updated 6 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolverβ10Apr 4, 2020Updated 5 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision β¦β11Jul 15, 2020Updated 5 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platformβ10Nov 17, 2023Updated 2 years ago
- Bayesian model reduction for probabilistic machine learningβ11Jul 3, 2025Updated 8 months ago
- Materials Transformersβ25Feb 4, 2023Updated 3 years ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learningβ45Feb 14, 2019Updated 7 years ago
- Posterior Network: Uncertainty Estimation without OOD Samples via Density-Based Pseudo-Counts (Neurips 2020)β78May 18, 2022Updated 3 years ago
- Codebase for " Reducing Representation Drift in Online Continual Learning"β14Jun 8, 2021Updated 4 years ago
- The implementation of "The Kanerva Machine" with Pytorch and Pyroβ12Jun 14, 2018Updated 7 years ago
- Plannable Approximations to MDP Homomorphisms: Equivariance under Actionsβ30Jun 30, 2020Updated 5 years ago
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"β16Oct 31, 2022Updated 3 years ago
- β27Feb 22, 2023Updated 3 years ago
- ML benchmarking and pipeling frameworkβ15Oct 28, 2025Updated 4 months ago
- Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesisβ17Feb 27, 2022Updated 4 years ago
- The Core Scientific Dataset Model (CSDM): A versatile and light-weight file-format for scientific datasets.β18Dec 10, 2025Updated 2 months ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarianβ¦β15Jul 3, 2025Updated 8 months ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.β14Oct 7, 2023Updated 2 years ago
- Implementing Visual Saliency Modelsβ13Jan 10, 2018Updated 8 years ago
- Representation Learning from Stoichiometryβ60Dec 12, 2022Updated 3 years ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometryβ13Oct 4, 2024Updated last year
- quantum chemistry common driver and databasesβ16Dec 6, 2022Updated 3 years ago