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chematic-ff 0.4.14
DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics
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dreiding.rs
lib.rs
mmff94.rs
mmff94_advanced.rs
mmff94_bci.rs
mmff94_energy.rs
mmff94_minimizer.rs
mmff94_numeric.rs
mmff94_params.rs
params.rs
uff.rs