awvwgk

xtb

Semiempirical Extended Tight-Binding Program Package

dftbplus

DFTB+ general package for performing fast atomistic simulations

fortran-package-manager

Fortran Package Manager

homebrew-core

🍻 Default formulae for the missing package manager for macOS (or Linux)

NTPoly

A massively parallel library for computing the functions of sparse matrices.

simple-dftd3

reimplementation of the DFT-D3 program

skprogs

Basic programs for generating Slater-Koster files for the DFTB-method

conda-forge-pinning-feedstock

A conda-smithy repository for conda-forge-pinning.

conda-forge-repodata-patches-feedstock

A conda-smithy repository for conda-forge-repodata-patches.

cpp-terminal

Small header only C++ library for writing multiplatform terminal applications

curcuma

Simple small molecular docking and conformation filtering tool.

fortls

fortls - Fortran Language Server

fortran-stdlib

Fortran Standard Library

fortran-webpage

New Fortran webpage

lfortran

Official main repository for LFortran

libtree

ldd as a tree

meson

The Meson Build System

MINGW-packages

Package scripts for MinGW-w64 targets to build under MSYS2.

openCOSMO-RS_cpp

plumed2

Development version of plumed 2

pyscf-feedstock

A conda-smithy repository for pyscf.

QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

ringdecomposerlib-feedstock

A conda-smithy repository for ringdecomposerlib.

scipy

SciPy library main repository

skprogs-feedstock

A conda-smithy repository for skprogs.

sktools-feedstock

A conda-smithy repository for sktools.

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

spglib-feedstock

A conda-smithy repository for spglib.

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks