🦅Hyperparameter optimization for machine learning pipelines 🦅
☆73Nov 29, 2020Updated 5 years ago
Alternatives and similar repositories for osprey
Users that are interested in osprey are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Datasets for open forcefield parameterization and development☆11Sep 22, 2019Updated 6 years ago
- Statistical models for biomolecular dynamics☆167Jan 26, 2021Updated 5 years ago
- ☆12Jul 30, 2019Updated 6 years ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- optimization routines for hyperparameter tuning☆425Nov 25, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- Winter is coming...☆14Jan 23, 2019Updated 7 years ago
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- Data, notebooks and visualizations of the conda-forge ecosystem☆24Updated this week
- Software Suite for Advanced General Ensemble Simulations☆92Feb 24, 2023Updated 3 years ago
- HTMD: Programming Environment for Molecular Discovery☆274Jun 8, 2026Updated last week
- A tool that evolves small brains capable of scanning and classifying an image.☆14Jul 25, 2016Updated 9 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Repository containing code for getting statistical guarantees on properties of BNNs☆13Apr 24, 2019Updated 7 years ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- Convex Polytope Machine☆25Feb 4, 2015Updated 11 years ago
- Tools for estimating and analyzing Markov state models☆41Aug 15, 2022Updated 3 years ago
- Simulated Dual Annealing for python and benchmarks☆15Mar 7, 2019Updated 7 years ago
- OpenMM plugin to interface with PLUMED☆79Jan 15, 2026Updated 5 months ago
- Adversarial Multiclass Classification: A Risk Minimization Perspective☆28Feb 7, 2020Updated 6 years ago
- Common post-estimation tasks for scikit-learn☆17Nov 30, 2016Updated 9 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- ☆21Oct 13, 2016Updated 9 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- Collection of scripts for doing common transformations in machine learning☆21Dec 5, 2012Updated 13 years ago
- An implementation of the Rotation Forest algorithm from Rodriguez et al. 2006☆18Apr 10, 2013Updated 13 years ago
- Utilities for interacting with PubChem☆17Feb 11, 2015Updated 11 years ago
- MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories☆26Dec 7, 2019Updated 6 years ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆47Sep 29, 2021Updated 4 years ago
- Python/Cython wrapper for liblbfgs☆46Apr 14, 2018Updated 8 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- convert a lot of zeros and ones to fewer real numbers☆23Jun 21, 2014Updated 11 years ago
- Tidy Simultaneous Confidence Intervals for Multinomial Proportions☆11Apr 9, 2020Updated 6 years ago
- OpenMM testbed for constant-pH methodologies.☆25Sep 20, 2021Updated 4 years ago
- algorithms for mass univariate regression☆13Aug 21, 2018Updated 7 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Sequential model-based optimization with a `scipy.optimize` interface☆2,828Feb 23, 2024Updated 2 years ago