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Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
strace is a diagnostic, debugging and instructional userspace utility for Linux
Productive, portable, and performant GPU programming in Python.
MSVC's implementation of the C++ Standard Library.
A retargetable MLIR-based machine learning compiler and runtime toolkit.
stdgpu: Efficient STL-like Data Structures on the GPU
C++ and Python support for the CUDA Quantum programming model for heterogeneous quantum-classical workflows
free finite-difference time-domain (FDTD) software for electromagnetic simulations
[ARCHIVED] The C++ parallel algorithms library. See https://github.com/NVIDIA/cccl
Samples for CUDA Developers which demonstrates features in CUDA Toolkit
A self-contained JavaScript wiki for the browser, Node.js, AWS Lambda etc.
A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff.
The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.
An unofficial styleguide and best practices summary for PyTorch
LO DGLAP for fragmentation functions
A resource for learning about Machine learning & Deep Learning
Lecture notes and codes for the course "Numerical Modelling in Fortran" given by Prof. Paul Tackley, ETH Zurich
Parallel Computing and Scientific Machine Learning (SciML): Methods and Applications (MIT 18.337J/6.338J)
Jupyter kernel for the C++ programming language
Google Research
Differentiable, Hardware Accelerated, Molecular Dynamics
Machine learning algorithms for many-body quantum systems