sci-form-0.15.1
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docs.rs

Rust

sci-form 0.15.1

High-performance 3D molecular conformer generation using ETKDG distance geometry

Crate
Source
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Feature flags

..
analysis
benchmarks
debug
experimental
fixtures
integration
regression
alpha_cross_method.rs
alpha_dft_validation.rs
alpha_dynamics_conservation.rs
alpha_mlff_consistency.rs
alpha_reaction_dynamics_3d.rs
alpha_reaxff_validation.rs
alpha_scf_eri_accuracy.rs
analysis.rs
benchmarks.rs
check_atom_counts.rs
ci.rs
debug.rs
e3_justification.rs
reaction_battery.rs
reaction_dynamics_study.rs
regression.rs
test_smirks_reactions.rs