| atlas-lapack |
3.10.3-2 |
92 |
0.59 |
Automatically Tuned Linear Algebra Software |
a.kudelin
|
| cadabra2 |
2.2.7-1 |
2 |
0.46 |
A field-theory motivated approach to computer algebra |
a.kudelin
|
| camlpdf-git |
2.2.1.r47.g1e8e698-1 |
0 |
0.00 |
PDF-processing-library for OCaml |
a.kudelin
|
| ccpnmr |
2.4.2-1 |
0 |
0.00 |
An interactive NMR spectrum visualisation, resonance assignment and analysis program |
a.kudelin
|
| cp2k-data |
6.1.0-1 |
1 |
0.03 |
A simulation parameters package for CP2K |
a.kudelin
|
| cpdf-git |
2.2.1.r45.g9cb5347-1 |
0 |
0.00 |
A command line toolkit for Portable Document Format |
a.kudelin
|
| dalton |
2018.2-2 |
0 |
0.00 |
A tool for a wide range of molecular properties at different levels of theory |
a.kudelin
|
| dftbplus |
19.1-1 |
0 |
0.00 |
A quantum mechanical simulation software package based on the DFTB method |
a.kudelin
|
| elmerfem |
8.4-1 |
7 |
0.00 |
A finite element software for multiphysical problems |
a.kudelin
|
| elpa |
2019.05.001-1 |
0 |
0.00 |
Eigenvalue SoLvers for Petaflop-Applications |
a.kudelin
|
| gsim |
21.3-3 |
0 |
0.00 |
A tool for visualisation and processing of NMR spectra |
a.kudelin
|
| libcmatrix |
3.11.0-3 |
0 |
0.00 |
A library designed for numerical studies of problems in NMR |
a.kudelin
|
| libint |
1.2.1-1 |
1 |
0.03 |
High-performance library for computing Gaussian integrals |
a.kudelin
|
| libxsmm |
1.13-2 |
0 |
0.00 |
A library for small dense and small sparse matrix-matrix multiplications |
a.kudelin
|
| molsketch |
0.6.0-2 |
0 |
0.00 |
A 2D molecular editing tool |
a.kudelin
|
| nwchem |
6.8.1-4 |
5 |
0.00 |
Ab initio computational chemistry software package |
a.kudelin
|
| opencalphad-git |
5.041-1 |
0 |
0.00 |
A thermodynamic calculation code |
a.kudelin
|
| optionmatrix |
1.4.3-1 |
0 |
0.00 |
A financial derivative calculator with 168+ models |
a.kudelin
|
| ovito |
2.9.0-1 |
5 |
0.00 |
A scientific visualization and analysis software for atomistic simulation data. |
a.kudelin
|
| quickfix |
1.15.1-1 |
0 |
0.00 |
C++ Fix Engine Library |
a.kudelin
|
| siesta |
4.0.2-2 |
0 |
0.00 |
A first-principles materials simulation code using DFT |
a.kudelin
|
| su2 |
6.1.0-2 |
4 |
0.00 |
Open-source collection of software tools written in C++ for performing Partial Differential Equation (PDE) analysis and solving PDE-constrained optimization problems |
a.kudelin
|
| vmd-src |
1.9.3-2 |
1 |
0.62 |
Visual Molecular Dynamics |
a.kudelin
|