Universal extensible molecular simulation engine
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Updated
Feb 9, 2024 - Rust
Universal extensible molecular simulation engine
Restricted Hartree Fock in rust
Implementation of the Reference Interaction-Site Model (RISM) equation
[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
Rusty framework for multiscale/multilevel modeling
Run remote programs in parallel for computational chemistry.
spdkit: Structure Predication Development Kit
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