ALebrun-108 / BoxSERSLinks
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
☆68Updated last year
Alternatives and similar repositories for BoxSERS
Users that are interested in BoxSERS are comparing it to the libraries listed below
Sorting:
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆153Updated last week
- RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis☆150Updated last month
- ☆37Updated 3 years ago
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Updated 3 years ago
- A Python library for NMR simulation☆25Updated last year
- A Python module for processing NMR spectra.☆33Updated last week
- ☆17Updated 3 years ago
- Repository containing code for analysis of Raman and IR spectra datasets☆27Updated 4 years ago
- python simulation interface for molecular modeling☆100Updated 3 years ago
- DeepeR: deep learning enabled Raman spectroscopy☆99Updated last year
- [MGE Advances 2025] Offical implement of BgoFace☆17Updated last month
- Python code to identify and calculate decomposition of materials using Raman spectroscopy☆27Updated 4 years ago
- A framework for processing adsorption data and isotherm fitting☆78Updated 9 months ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated 3 weeks ago
- A TCL code for the calculation of mass/number density of a system.☆19Updated last year
- ☆49Updated this week
- a python package for the interfacial analysis of molecular simulations☆93Updated 2 weeks ago
- Deep-Learning-Based Components Identification for Raman Spectroscopy☆48Updated 5 years ago
- ☆18Updated last year
- A python script to prepare GROMACS input files using INTERFACE forcefield☆25Updated 3 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- Gromacs to Lammps simulation converter☆86Updated 2 years ago
- ☆35Updated 4 months ago
- ☆45Updated 4 months ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Updated 4 years ago
- Generate PEG topology for GROMACS and LAMMPS☆25Updated last year
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Updated 4 months ago
- MatDesign: a programming-free AI platform to predict and design materials☆75Updated 4 months ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆18Updated last year
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆46Updated last year