Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
CasADi is a symbolic framework for numeric optimization implementing automatic differentiation in forward and reverse modes on sparse matrix-valued computational graphs. It supports self-contained C-code generation and interfaces state-of-the-art codes such as SUNDIALS, IPOPT etc. It can be used from C++, Python, Matlab/Octave, Julia or Javascript
Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.
C++ library for solving large sparse linear systems with algebraic multigrid method
VexCL is a C++ vector expression template library for OpenCL/CUDA/OpenMP
The Configurable Math Library
💬 Trace citation chains for any concept across research papers and render them as an interactive graph.
Translated🗺️ Research Data Map — AI-driven global research visualization platform | Research Data Map with 250M+ papers