usnistgov / pysr
a pure-python symbolic regression library built on deap
☆10Updated 8 years ago
Related projects ⓘ
Alternatives and complementary repositories for pysr
- plug-n-play black box optimizer for high-throughput computing☆43Updated last year
- Python tools for VMD☆10Updated 6 years ago
- Simulated Dual Annealing for python and benchmarks☆15Updated 5 years ago
- ☆15Updated 4 years ago
- funsies is a lightweight workflow engine 🔧☆41Updated 3 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆11Updated 2 years ago
- Python energy landscape explorer☆95Updated 5 years ago
- Monte Carlo and parallel tempering routines built on the pele foundation☆20Updated 9 months ago
- This repo provides code and data to reproduce the results in the paper for "Electron Transfer Rules of Minerals under Pressure informed b…☆10Updated last year
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆25Updated 3 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and partic…☆33Updated last week
- ☆10Updated 4 years ago
- Unofficial Python port of the conformalmapping MATLAB toolbox☆15Updated 7 years ago
- Routines for rotational spectroscopy analysis written in Python 3☆31Updated 3 months ago
- Learning free energy landscapes using artificial neural networks☆13Updated 6 years ago
- working my way through Sussman and Wisdom's Functional Differential Geometry and implementing it in Python☆45Updated 10 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 2 years ago
- Python routines for Monte Carlo integration☆32Updated 5 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆32Updated 2 years ago
- The new generation molecular viewer for IPython notebook☆81Updated 4 years ago
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- Flexible Rare Event Sampling Harness System☆12Updated 8 years ago
- Bibtex for various Python science and machine learning software☆31Updated 2 years ago
- simple visualization of molecules in python☆14Updated last year
- "Parameter origami" -- folding and unfolding collections of parameters for optimization and sensitivity analysis.☆13Updated 9 months ago
- Bayes for anything!☆17Updated last year
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆23Updated this week
- Tools for estimating and analyzing Markov state models☆40Updated 2 years ago
- Wigner's 3J, 6J, 9J symbols for python☆18Updated 3 months ago