Cloveryww / MPI-parallel-algorithmsLinks
Some MPI parallel algorithms,easy to begin to learn.
☆30Updated 7 years ago
Alternatives and similar repositories for MPI-parallel-algorithms
Users that are interested in MPI-parallel-algorithms are comparing it to the libraries listed below
Sorting:
- parallelProgramingProject ========================= 《高级并行程序设计》课程报告代码附录 ----------------------------------- 目录结构:<br> cannon/ cannon算法…☆35Updated 11 years ago
- Python code for learning Molecular Dynamics simulations☆53Updated 5 years ago
- A particle-filter framework for robust cryoEM 3D reconstruction☆57Updated 3 years ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆192Updated last month
- Classical molecular dynamics proxy application.☆32Updated 5 years ago
- A simple Lennard-Jones molecular dynamics software☆29Updated last year
- DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations☆20Updated last year
- DeepModeling community content☆90Updated 2 weeks ago
- SJTU HPC 用户文档站点☆191Updated last month
- Computes the Henry coefficient of methane in IRMOF-1☆10Updated 4 years ago
- ☆92Updated last year
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- JavaScript based molecule structure editor☆15Updated 16 years ago
- A CUDA implementation of Vina-GPU☆30Updated 3 years ago
- ucas hpc course code☆15Updated 2 years ago
- Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.☆24Updated 3 years ago
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆18Updated 3 years ago
- ☆13Updated last month
- Tinker-GPU: Next Generation of Tinker with GPU Support☆55Updated last month
- Deep learning for molecules quantum chemistry properties prediction☆40Updated 4 years ago
- A general Genetic Algorithm Solver in C++☆21Updated 8 years ago
- A heterogeneous OpenCL implementation of AutoDock Vina☆87Updated 2 years ago
- ☆44Updated last week
- an efficient distributed PyTorch framework☆155Updated 5 months ago
- [WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data science☆39Updated last week
- Parallel Matrix Multiplication Using OpenMP, Phtreads, and MPI☆59Updated 3 years ago
- A stripped-down set of just antechamber, sqm, and tleap.☆33Updated 4 years ago
- Democratizing AlphaFold3: an PyTorch reimplementation to accelerate protein structure prediction☆54Updated last year
- ☆78Updated 6 months ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆24Updated last year