🦅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:
- Statistical models for biomolecular dynamics☆161Jan 26, 2021Updated 5 years ago
- Convert pure-Python wheels to conda packages (experimental)☆11May 11, 2018Updated 7 years ago
- ☆12Jul 30, 2019Updated 6 years ago
- optimization routines for hyperparameter tuning☆425Nov 25, 2023Updated 2 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 9 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- Winter is coming...☆14Jan 23, 2019Updated 7 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆212Updated this week
- Geometrical Counter-Poise Correction☆13Nov 19, 2024Updated last year
- SQL database adapters forked from IOPro☆14Aug 14, 2024Updated last year
- A primer on software development best practices for computational chemistry☆274Dec 5, 2022Updated 3 years ago
- Data, notebooks and visualizations of the conda-forge ecosystem☆24Updated this week
- Software Suite for Advanced General Ensemble Simulations☆90Feb 24, 2023Updated 3 years ago
- Simple (hopefuly useful) Proxy (as in the GoF design pattern) implementation for Python☆29May 6, 2014Updated 11 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 8 years ago
- HTMD: Programming Environment for Molecular Discovery☆273Mar 4, 2026Updated 3 weeks ago
- A tool that evolves small brains capable of scanning and classifying an image.☆14Jul 25, 2016Updated 9 years ago
- 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 6 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
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- OpenMM plugin to interface with PLUMED☆77Jan 15, 2026Updated 2 months ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- Common post-estimation tasks for scikit-learn☆17Nov 30, 2016Updated 9 years ago
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- ☆12Dec 19, 2016Updated 9 years ago
- ☆20Oct 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
- Utilities for interacting with PubChem☆18Feb 11, 2015Updated 11 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- 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☆47Apr 14, 2018Updated 7 years ago
- 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 5 years ago
- OpenMM testbed for constant-pH methodologies.☆24Sep 20, 2021Updated 4 years ago
- Python utilities for Machine Learning competitions☆31Oct 23, 2017Updated 8 years ago