pent Extracts Numerical Text -- Mini-language driven parser for structured numerical data in text
☆20Oct 28, 2019Updated 6 years ago
Alternatives and similar repositories for pent
Users that are interested in pent are comparing it to the libraries listed below
Sorting:
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- ☆23Updated this week
- 📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…☆33Updated this week
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Headway - Selenium Maven TestNG POM Data Driven Framework☆18Jul 2, 2025Updated 8 months ago
- ☆11Aug 27, 2024Updated last year
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆16Jan 27, 2025Updated last year
- CP2K containers☆16Aug 19, 2025Updated 6 months ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- ☆17May 29, 2024Updated last year
- Set of scripts to automate the calculation of crystal lattice energies.☆14Oct 17, 2024Updated last year
- PyTorch Autodiff DFT-D3 Implementation.☆24Feb 23, 2026Updated last week
- Topological Analysis for Molecular Systems☆17Feb 7, 2019Updated 7 years ago
- This repository explores a variety of data visualization techniques, with a particular focus on applications in the hospitality domain. I…☆42Oct 16, 2025Updated 4 months ago
- Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian☆21Nov 27, 2020Updated 5 years ago
- AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum…☆18Jun 23, 2015Updated 10 years ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆42Feb 11, 2026Updated 2 weeks ago
- Sparse Linear Regression Models☆19Updated this week
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 3 years ago
- Encoding chemistry to interpret crystallographic data☆28Feb 4, 2026Updated 3 weeks ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆23Feb 23, 2026Updated last week
- Wave-function analysis tool library☆27Oct 7, 2024Updated last year
- The code for paper entitled "Data-Driven Modulation Optimization with LMMSE Equalization for Reliability Enhancement in Underwater Acoust…☆19Oct 4, 2025Updated 4 months ago
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated 8 months ago
- Software to calculate atomic scattering factors and properties for Quantum Crystallography☆13Updated this week
- A scikit-learn compatible implementation of MCA☆30Jun 16, 2017Updated 8 years ago
- Python wrappers for the FirecREST API☆12Dec 23, 2025Updated 2 months ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years ago
- ☆37Oct 8, 2019Updated 6 years ago
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Generator of polynomial machine learning potentials☆19Updated this week
- Reverse Monte Carlo refinement of diffuse scattering from single crystals☆11Sep 20, 2023Updated 2 years ago
- Yaff is yet another force-field code☆37Oct 6, 2022Updated 3 years ago
- Deep Neural Networks for Python☆10Sep 22, 2015Updated 10 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- RPMD and rate constant calculations on black-box potential energy surfaces☆15Feb 8, 2026Updated 3 weeks ago
- Some time series vectorization methods which could give better representation for classification / clustering or other analysis.☆11Jan 4, 2016Updated 10 years ago