| ABCluster |
3.2 |
all |
/opt/ABCluster-3.2/* |
@Pawel |
| autodock vina |
1.1.2 |
all |
/opt/autodock_vina_1_1_2_linux_x86/* |
@Pawel |
| autodock |
4.2.6 |
all |
/opt/autodock_x86_64Linux2/* |
@Pawel |
| dftbplus |
19.1 |
all |
/opt/dftbplus-19.1.x86_64-linux/* |
@Pawel |
| dftbplus |
22.1 |
all |
/opt/dftbplus-22.1.x86_64-linux/* |
@Pawel |
| Gaussian |
16 |
all |
/opt/g16/* |
@Pawel |
| GaussView |
6.1.1 |
all |
/opt/gv/* |
@Pawel |
| gromacs |
2023.2 |
all |
/opt/gromacs-2023.2/* |
@Pawel |
| gromacs |
2023.3 |
all |
/opt/gromacs-2023.3/* |
@Pawel |
| intel oneAPI Base Toolkit |
2023.2 |
all |
/opt/intel/* |
@Pawel |
| intel oneAPI HPC Toolkit |
2023.2 |
all |
/opt/intel/* |
@Pawel |
| jdftx |
1.7.0 |
all |
/opt/jdftx/* |
@Pawel |
| julia |
1.9.2 |
all |
/opt/julia-1.9.2/* |
@Pawel |
| NAMD |
2.14 |
all |
/opt/NAMD_2.14_Linux-x86_64-multicore/* |
@Pawel |
| MOMAP |
2022B |
all |
/opt/MOMAP-2022B/* |
@Pawel |
| orca |
5.0.4 |
all |
/opt/orca_5_0_4_linux_x86-64_shared_openmpi411/* |
@Pawel |
| perl |
5.34 |
all |
/usr |
@Pawel |
| psi4conda |
4.13 |
all |
/opt/psi4conda/* |
@Pawel |
| python |
2.7 and 3.10 |
all |
/usr |
@Pawel |
| qchem |
QCHEM_21APRIL_2021 |
all |
/opt/qchem/* |
@Pawel |
| schrodinger |
2021-2 |
all |
/opt/schrodinger2021-2/* |
@Pawel |
| schrodinger |
2022-4 |
all |
/opt/schrodinger2022-4/* |
@Pawel |
| vasp |
6.4.2 |
all |
/opt/vasp.6.4.2/* |
@Pawel |
| xtb |
6.2.2 |
all |
/opt/xtb_6.2.2/* |
@Pawel |
| xtb |
6.4.1 |
all |
/opt/xtb-6.4.1/* |
@Pawel |
| xtb |
6.5.1 |
all |
/opt/xtb-6.5.1/* |
@Pawel |