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adcc-feedstock

A conda-smithy repository for adcc.

admin-requests

aggregate

ambit

C++ library for the implementation of tensor product calculations through a clean, concise user interface.

ambit-feedstock

A conda-smithy repository for ambit.

anaconda-client

Anaconda Server Client

artifacts

posters and presentations

basis_set_exchange

A repository for quantum chemistry basis sets

basis_set_exchange-feedstock

A conda-smithy repository for basis_set_exchange.

bfdb-jupyter

Jupyter notebook accessing the BioFragment Database (BFDb)

cerf-feedstock

A conda-smithy repository for cerf.

chemps2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

cmakeextrautils

Helpful CMake modules for project management and export

conda

OS-agnostic, system-level binary package manager and ecosystem

conda-build

Commands and tools for building conda packages

conda-forge-anvil

conda-forge conda-constructor

conda-forge-pinning-feedstock

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

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

cppe

C++ and Python library for Polarizable Embedding calculations

cppe-feedstock

A conda-smithy repository for cppe.

crystalatte

Set of scripts to automate the calculation of crystal lattice energies.

deepdiff-feedstock

A conda-smithy repository for deepdiff.

dftd3

S. Grimme's dispersion correction for DFT, Hartree–Fock, and semi-empirical quantum chemical methods

dftd4

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction

dkh-feedstock

A conda-smithy repository for dkh.

dummyplugin

An external plugin to psi4 that compiles!

einsums

Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

einsums-feedstock

A conda-smithy repository for einsums.

feedstock-outputs

registry of feedstock outputs

forte