2 packages matching “gfn2”
sci-form-wasm
v0.15.2 · 5 months ago
100
WASM/TypeScript bindings for high-performance 3D molecular conformer generation
24MIT
No known vulnerabilities
xtb-wasm
v1.0.0 · 5 days ago
100
GFN2-xTB vibrational spectroscopy in the browser: harmonic frequencies, IR intensities, Raman activities and RRHO thermochemistry, validated against native xtb
0GPL-3.0-or-later
No known vulnerabilities