Luthaf / Jumos.jl
Julia toolbox for molecular simulations
☆23Updated 7 years ago
Related projects: ⓘ
- Julia bindings to chemfiles☆36Updated last year
- A Julian toolkit for solid-state chemical theory.☆31Updated 2 months ago
- ☆12Updated 2 months ago
- neighbour list for particle simulations based on matscipy☆11Updated 2 weeks ago
- A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto☆33Updated 3 months ago
- Atomic crystal structures for Julia☆19Updated 6 years ago
- Julia package to compute the result of expm(t*A)*v when A is a sparse matrix, without computing expm(t*A).☆22Updated 5 years ago
- OpenSMILES parser in Julia☆26Updated last year
- Julia language implementation of the Cell Lists algorithm to solve the fixed-radius near neighbors problem including serial and multithre…☆19Updated 3 years ago
- A Julian abstract interface for atomistic calculators.☆13Updated 3 weeks ago
- A common API for finding nearest neighbors in Julia☆12Updated last year
- Julia tools for reading Crystallographic Information Framework (CIF) files and dictionaries☆11Updated 8 months ago
- Fundamental scientific algorithms in Julia☆32Updated 2 years ago
- My workshop☆46Updated 7 years ago
- Auto differentiation over linear algebras (a Zygote extension)☆30Updated 4 years ago
- Julia wrappers for Trilinos☆16Updated 6 years ago
- Generate and perturb protein structural ensembles using the ExProSE algorithm☆22Updated 10 months ago
- ☆29Updated 3 weeks ago
- Julia bindings to the libxc library for exchange-correlation functionals☆22Updated 4 months ago
- Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia☆16Updated 7 years ago
- Julia Library for Interatomic Potentials☆83Updated last week
- Registry for Molecular Simulation Packages☆11Updated last year
- Contains methods and types for a variety interatomic potentials.☆27Updated 3 months ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Updated 3 years ago
- Network visualization, tensor network, lattice et. al.☆9Updated 3 years ago
- Remez algorithm for computing minimax polynomial approximations☆38Updated 4 years ago
- An extension of Unitful.jl for working with atomic units☆20Updated 4 months ago
- Lightweight package for sharing tensor-algebra definitions☆24Updated 3 months ago
- Statistical standard error estimation tools for correlated data☆24Updated last month
- Toolset for modifying Julia AST and characteristic values☆15Updated 5 years ago