Science::Computational Chemistry::Cheminformatics
61
na_seq
0.3.15 GrowingDNA, RNA, and amino acid sequence types and functions
16.1K downloads · 1mo ago
61
bio_apis
0.2.7 ExperimentalDNA and RNA sequence types and functions
6.3K downloads · 18d ago
56
bio_files
0.4.9 ExperimentalSave and load common biology file formats
12.0K downloads · 29d ago
54
dynamics
0.1.7 ExperimentalMolecular dynamics
452 downloads · 20d ago
54
ewald
0.1.13 ExperimentalEwald SPME force calculations
3.1K downloads · 5d ago
52
dreid-typer
0.5.0 ExperimentalA pure Rust library for DREIDING atom typing and molecular topology perception.
784 downloads · 1mo ago
49
dreid-forge
0.4.0 ExperimentalA pure Rust library and CLI that automates DREIDING force field parameterization by orchestrating structure repair, topology perception, and charge calculation for both biological and chemical systems.
146 downloads · 1mo ago