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https://rcac.purdue.edu/index.php/knowledge/ngc/namd RCAC - Knowledge Base: NVIDIA NGC containers: namd Link to section 'Description' of 'namd' Description NAMD is a parallel molecular dynamics code designed for high-performance simulation of l... knowledge base nvidia ngc rcac containers namd https://rcac.purdue.edu/index.php/knowledge/ngc/torchani RCAC - Knowledge Base: NVIDIA NGC containers: torchani Link to section 'Description' of 'torchani' Description TorchANI is a PyTorch-based program for training/inference of ANI (ANAKIN-ME) deep l... knowledge base nvidia ngc rcac containers https://rcac.purdue.edu/index.php/knowledge/ngc/lammps RCAC - Knowledge Base: NVIDIA NGC containers: lammps Link to section 'Description' of 'lammps' Description Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS is a software applica... knowledge base nvidia ngc rcac containers lammps https://db.rcac.purdue.edu/index.php/knowledge/ngc/lammps RCAC - Knowledge Base: NVIDIA NGC containers: lammps Link to section 'Description' of 'lammps' Description Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS is a software applica... knowledge base nvidia ngc rcac containers lammps https://rcac.purdue.edu/index.php/knowledge/ngc/tensorflow RCAC - Knowledge Base: NVIDIA NGC containers: tensorflow Link to section 'Description' of 'tensorflow' Description TensorFlow is an open-source software library for numerical computation using data... knowledge base nvidia ngc rcac containers tensorflow https://rcac.purdue.edu/index.php/knowledge/ngc/nvhpc RCAC - Knowledge Base: NVIDIA NGC containers: nvhpc Link to section 'Description' of 'nvhpc' Description The NVIDIA HPC SDK C, C++, and Fortran compilers support GPU acceleration of HPC modeli... knowledge base nvidia ngc rcac containers nvhpc https://rcac.purdue.edu/index.php/knowledge/ngc?all=true RCAC - Knowledge Base: NVIDIA NGC containers: NVIDIA NGC containers: All topics Link to section 'What is NGC?' of 'NVIDIA NGC containers' What is NGC? Nvidia GPU cloud (NGC) is a GPU-accelerated cloud platform optimized... knowledge base nvidia ngc rcac containers topics https://rcac.purdue.edu/index.php/knowledge/ngc/quantum_espresso RCAC - Knowledge Base: NVIDIA NGC containers: quantum_espresso Link to section 'Description' of 'quantum_espresso' Description Quantum ESPRESSO is an integrated suite of Open-Source computer codes for el... knowledge base nvidia ngc rcac containers quantum https://rcac.purdue.edu/index.php/knowledge/ngc/rapidsai RCAC - Knowledge Base: NVIDIA NGC containers: rapidsai Link to section 'Description' of 'rapidsai' Description The RAPIDS suite of software libraries gives you the freedom to execute end-to-end d... knowledge base nvidia ngc rcac containers https://rcac.purdue.edu/index.php/knowledge/ngc/paraview RCAC - Knowledge Base: NVIDIA NGC containers: paraview Link to section 'Description' of 'paraview' Description no ParaView client GUI in this container, but ParaView Web application is included.... 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