leonardo-chiappisi / pyDSCLinks
Set of python scripts for the correction of DSC data.
☆23Updated 7 months ago
Alternatives and similar repositories for pyDSC
Users that are interested in pyDSC are comparing it to the libraries listed below
Sorting:
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆58Updated last month
- python simulation interface for molecular modeling☆92Updated 3 years ago
- A Python library for NMR simulation☆24Updated last year
- ☆60Updated 2 months ago
- Tools for ThermoML parsing☆20Updated 3 years ago
- The future of Packmol☆35Updated 3 weeks ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Plots absorption spectra from from ORCA output files☆19Updated 8 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆69Updated last week
- A comprehensive tool for analyzing liquid solvation structure.☆52Updated 11 months ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 10 months ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆42Updated 6 years ago
- Draw molecules with plotly!☆47Updated 2 months ago
- Program for revealing non-covalent interactions☆34Updated 2 years ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆36Updated 11 months ago
- ☆20Updated 2 weeks ago
- Quantum Chemistry Web Platform☆68Updated 3 months ago
- Plots IR spectra from from ORCA output files☆21Updated 8 months ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated last month
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆76Updated last week
- Hands-on workshop showing good software development practices to create a Python package.☆41Updated last year
- ☆71Updated 3 weeks ago
- eChem: Jupyter book on theoretical chemistry☆106Updated last week
- A Python module for processing NMR spectra.☆26Updated last month
- An open-source effort towards accessible polymer data☆35Updated 4 years ago
- General purpose tools for high-throughput catalysis☆94Updated last month
- AutoTST: A framework to perform automated transition state theory calculations☆39Updated 10 months ago
- Python tool to manipulate Gaussian cube files☆44Updated last year