65 packages found. Page 2 of 2.

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Name Version Votes Popularity? Description Maintainer Last Updated
opencalphad-git 5.041-1 1 0.00 A thermodynamic calculation code a.kudelin 2019-05-24 01:29 (UTC)
multiwfn 3.7-1 1 0.00 A program for realizing electronic wavefunction analysis a.kudelin 2020-09-05 10:56 (UTC)
molsketch 0.8.0-1 1 0.00 A 2D molecular editing tool a.kudelin 2023-10-21 21:08 (UTC)
mesmer 6.1-1 1 0.00 An open-source master equation solver for multi-energy well reactions a.kudelin 2021-11-09 22:28 (UTC)
libxsmm 1.17-2 1 0.00 A library for small dense and small sparse matrix-matrix multiplications a.kudelin 2022-08-07 14:13 (UTC)
libvdwxc 0.4.0-3 1 0.00 A library for vdW-DF exchange-correlation functionals a.kudelin 2023-04-06 11:05 (UTC)
libcmatrix 3.11.0-8 1 0.00 A library designed for numerical studies of problems in NMR a.kudelin 2023-09-06 19:00 (UTC)
jdftx 1.7.0-1 2 0.00 Software for joint density functional theory a.kudelin 2022-02-08 11:11 (UTC)
gsim 21.3-7 1 0.00 A tool for visualisation and processing of NMR spectra a.kudelin 2023-09-06 20:25 (UTC)
gamess 2023R2-1 3 0.00 The General Atomic and Molecular Electronic Structure System a.kudelin 2024-01-27 10:08 (UTC)
exciting 16-1 2 0.00 A full-potential all-electron density-functional-theory package a.kudelin 2022-04-07 18:00 (UTC)
elsi 2.9.0-1 1 0.00 A software interface designed for electronic structure codes a.kudelin 2022-02-06 14:27 (UTC)
cppitertools 2.1-1 1 0.00 Python itertools and builtin iteration functions for C++17 a.kudelin 2021-11-11 19:22 (UTC)
cosma 2.6.1-2 1 0.00 Distributed Communication-Optimal Matrix-Matrix Multiplication Algorithm a.kudelin 2022-08-07 12:19 (UTC)
combblas 2.0.0-1 2 0.00 A library offering a set of linear algebra primitives for graph analytics a.kudelin 2022-08-25 08:55 (UTC)

65 packages found. Page 2 of 2.

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