π¦
Hyperparameter optimization for machine learning pipelines π¦
β73Nov 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 developmentβ11Sep 22, 2019Updated 6 years ago
- β12Jul 30, 2019Updated 6 years ago
- For discussing and aggregating data for force field developmentβ15Oct 19, 2016Updated 9 years ago
- optimization routines for hyperparameter tuningβ426Nov 25, 2023Updated 2 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMAβ10May 25, 2016Updated 10 years ago
- Managed hosting for WordPress and PHP on Cloudways β’ AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Automated omics-scale protein modeling and simulation setup.β53Sep 20, 2021Updated 4 years ago
- Databases and Interoperability in Quantum Chemistryβ13Feb 15, 2018Updated 8 years ago
- Winter is coming...β14Jan 23, 2019Updated 7 years ago
- Symbiotic computational chemistry; Public repository.β20Jan 12, 2018Updated 8 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysisβ218Updated this week
- A primer on software development best practices for computational chemistryβ276Dec 5, 2022Updated 3 years ago
- Software Suite for Advanced General Ensemble Simulationsβ92Feb 24, 2023Updated 3 years ago
- Normal Mode Analysis for Macromoleculesβ18Apr 1, 2017Updated 9 years ago
- HTMD: Programming Environment for Molecular Discoveryβ274Updated this week
- Managed Kubernetes at scale on DigitalOcean β’ AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A tool that evolves small brains capable of scanning and classifying an image.β14Jul 25, 2016Updated 9 years ago
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICKβ11Jan 19, 2015Updated 11 years ago
- Repository containing code for getting statistical guarantees on properties of BNNsβ13Apr 24, 2019Updated 7 years ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.β16Aug 8, 2017Updated 8 years ago
- Convex Polytope Machineβ25Feb 4, 2015Updated 11 years ago
- Tools for estimating and analyzing Markov state modelsβ41Aug 15, 2022Updated 3 years ago
- Simulated Dual Annealing for python and benchmarksβ15Mar 7, 2019Updated 7 years ago
- OpenMM plugin to interface with PLUMEDβ79Jan 15, 2026Updated 5 months ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codesβ34Oct 15, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient β’ AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5β¦β11May 22, 2019Updated 7 years ago
- Common post-estimation tasks for scikit-learnβ17Nov 30, 2016Updated 9 years ago
- Data visualizations for biomolecular dynamicsβ17Oct 30, 2018Updated 7 years ago
- β12Dec 19, 2016Updated 9 years ago
- β21Oct 13, 2016Updated 9 years ago
- Collection of scripts for doing common transformations in machine learningβ21Dec 5, 2012Updated 13 years ago
- An implementation of the Rotation Forest algorithm from Rodriguez et al. 2006β18Apr 10, 2013Updated 13 years ago
- Utilities for interacting with PubChemβ17Feb 11, 2015Updated 11 years ago
- MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectoriesβ26Dec 7, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standardsβ47Sep 29, 2021Updated 4 years ago
- convert a lot of zeros and ones to fewer real numbersβ23Jun 21, 2014Updated 12 years ago
- Python utilities for Machine Learning competitionsβ31Oct 23, 2017Updated 8 years ago
- OpenMM testbed for constant-pH methodologies.β25Sep 20, 2021Updated 4 years ago
- algorithms for mass univariate regressionβ13Aug 21, 2018Updated 7 years ago
- Parallel algorithms for MDAnalysisβ31Aug 2, 2024Updated last year
- a logistics and persistence engine for the analysis of molecular dynamics trajectoriesβ30Jan 24, 2020Updated 6 years ago