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Search results for hpc chemistry

9 search results found

Pythonidae ⭐ 810

Curated decibans of scientific programming resources in Python.

Quantum chemistry and solid state physics software package

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

A toolkit featured artificial intelligence × ab initio for computational chemistry research.

Qmd Progress ⭐ 18

PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.

Install_lammps ⭐ 12

Benchmarks ⭐ 10

HPC Benchmarks for most popular applications in Chemistry, Physics, Biology, and some other related subjects

Water Steam If97 ⭐ 7

Ultra-high-resolution water and steam property calculation, based on IAPWS-IF 97

Soprano - a Python library to crack crystals!

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