SoftwareΒΆ
Contents:
- ABINIT
- AmberTools (CPU)
- Anaconda/Conda
- Autoconf
- Compilers
- CMake
- CP2K
- Curl
- DNN (Deep Neural Network)
- FFmpeg
- GROMACS (on CPU)
- Julia
- LAMMPS
- Libraries
- Lua
- NAMD
- NWChem
- OpenFOAM
- ORCA
- pmemd.MPI (CPU)
- Python
- Python virtual environments (GPU)
- PyTorch (GPU)
- Transformers (Hugging Face) (GPU)
- Quantum ESPRESSO
- SW4
- TensorFlow (GPU)
- Text editors
- Tinker
- UPP
- VASP
- WRF
- WRF-SFIRE (self-support)