High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
-
Updated
Sep 16, 2024 - Cuda
High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
Add a description, image, and links to the conceptual-dft topic page so that developers can more easily learn about it.
To associate your repository with the conceptual-dft topic, visit your repo's landing page and select "manage topics."