lumol-org / lumolLinks
Universal extensible molecular simulation engine
☆197Updated last year
Alternatives and similar repositories for lumol
Users that are interested in lumol are comparing it to the libraries listed below
Sorting:
- ☆59Updated last week
- Library for reading and writing chemistry files☆186Updated last month
- symmetric matrices algorithms to compute eigenvalue/eigenvector pairs☆43Updated 3 years ago
- [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility☆11Updated 2 years ago
- Rust bindings to chemfiles☆14Updated last year
- A cheminformatics toolkit for Rust.☆73Updated 4 years ago
- Ab initio quantum chemistry in Rust from scratch☆13Updated this week
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆72Updated 2 years ago
- classical density-functional theory☆32Updated 3 years ago
- FeOs - A Framework for Equations of State and Classical Density Functional Theory☆152Updated 3 weeks ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆11Updated 4 years ago
- Calculation of Wigner symbols and related constants☆11Updated 2 months ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 6 months ago
- A package for atom-typing as well as applying and disseminating forcefields☆132Updated last week
- A rust crate for mathematics and science☆41Updated last year
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- A C API and reference implementation for CIF 2.0 (and earlier)☆14Updated 4 years ago
- general purpose coarse-grained molecular dynamics simulation package☆34Updated 2 years ago
- Molecular Dynamics in the Open☆83Updated this week
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.☆61Updated this week
- C++ Library for Electrostatics☆16Updated 9 months ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- Analysing trajectories with chemfiles☆13Updated 2 years ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated 3 weeks ago
- A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models☆50Updated 8 months ago
- ☆37Updated 3 months ago
- Computational Crystallography Toolbox☆257Updated this week
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago