Skip to content

Navigation Menu

Appearance settings

ispg-group

Explore
By company size
By use case
By industry
View all solutions
Topics
- AI
- DevOps
- Security
- Software Development
- View all
Explore
- GitHub Sponsors
  Fund open source developers
- The ReadME Project
  GitHub community articles
Repositories
- Enterprise platform
  AI-powered developer platform
Available add-ons
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

Appearance settings

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

In sillico photochemistry group

9 followers
United Kingdom
https://in-silico-photochem.com/
@insilphotochem

Overview
Repositories
Projects
Packages
People

More

Overview
Repositories
Projects
Packages
People

Pinned Loading

aiidalab-ispg aiidalab-ispg Public

ATMOSPEC: ab initio UV/vis spectroscopy for everyone

Python 7 5

Repositories

Loading

Type

Select type

All Public Sources Forks Archived Mirrors Templates

Language

Select language

All C++ Fortran JavaScript Python Shell TeX

Sort

Select order

Last updated Name Stars

Showing 9 of 9 repositories

best-practices-namd Public
Best practices Guide on nonadiabatic molecular dynamics

ispg-group/best-practices-namd’s past year of commit activity

TeX 2 0 0 0 Updated Aug 7, 2025
harmonwig Public
Harmonic Wigner sampling of molecules from ab initio QM calculations

ispg-group/harmonwig’s past year of commit activity

Python 3 MIT 1 5 2 Updated Jul 7, 2025
aiidalab-ispg Public
ATMOSPEC: ab initio UV/vis spectroscopy for everyone

ispg-group/aiidalab-ispg’s past year of commit activity

Python 7 MIT 5 51 7 Updated Jun 18, 2025
PyNEAppLES Public Forked from stepan-srsen/PyNEAppLES
Tools for performing electronic spectra simulations using the nuclear ensemble approach/method (NEA/NEM).

ispg-group/PyNEAppLES’s past year of commit activity

Python 0 MIT 3 0 1 Updated May 19, 2025
bagel Public Forked from qsimulate-open/bagel
Brilliantly Advanced General Electronic-structure Library

ispg-group/bagel’s past year of commit activity

C++ 0 GPL-3.0 43 0 0 Updated Mar 31, 2025
aiidalab-ispg-docker-stack Public
Dockerfile for ATMOSPEC AiidaLab app

ispg-group/aiidalab-ispg-docker-stack’s past year of commit activity

Shell 0 MIT 0 5 1 Updated Jul 1, 2024
pydynpost Public
Postprocessing tools for nonadiabatic molecular dynamics methods

ispg-group/pydynpost’s past year of commit activity

Python 3 MIT 3 1 2 Updated Feb 15, 2024
optimwidths Public
Tool for calculating the Gaussian width parameters of AIMS

ispg-group/optimwidths’s past year of commit activity

Fortran 1 1 0 0 Updated Dec 6, 2023
QUESTDB_website Public Forked from LCPQ/QUESTDB_website
Web application to explore the QUEST database

ispg-group/QUESTDB_website’s past year of commit activity

JavaScript 0 BSD-3-Clause 4 0 0 Updated May 27, 2022

People

Top languages

Loading…

Uh oh!

There was an error while loading. Please reload this page.

Most used topics

Loading…

Uh oh!

There was an error while loading. Please reload this page.

Footer

© 2025 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Docs
Contact

You can’t perform that action at this time.