Jellby

Pegamoid

Orbital viewer (mirror of https://gitlab.com/Jellby/Pegamoid)

PrincePDF

Prince PDF plugin for calibre

ASEP-MD

Main implementation of the ASEP/MD method for sequential QM/MM calculations

OpenMolcas

The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.

achemso

LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals

basis_set_exchange

A repository for quantum chemistry basis sets

crengine

Mirror of the official crengine (Cool Reader Engine) repository at sourceforge.net http://sourceforge.net/projects/crengine/

fprettify

auto-formatter for modern fortran source code

marge-bot

A merge-bot for GitLab

Unplugged

A plugin for calibre

dockerfiles

ga

Partitioned Global Address Space (PGAS) library for distributed arrays

koreader

An ebook reader application supporting PDF, DjVu, EPUB, FB2 and many more formats, running on Cervantes, Kindle, Kobo, PocketBook and Android devices

koreader-base

Base framework offering a Lua scriptable environment for creating document readers

libwfa

Wave-function analysis tool library

NECI_STABLE

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

openmolcas-workshop

pint

Operate and manipulate physical quantities in Python

pynocchio

:rocket: A minimalist comic reader

sphinx

Main repository for the Sphinx documentation builder

sphinxtr

The Sphinx Thesis Resource