🏠
Working from home
chemistry educator. dad.
-
Grokmol, Ltd.
- Great Smokies
- http://exergonic.github.io
- https://orcid.org/0009-0009-4046-5738
Pinned Loading
-
avo_ibo
avo_ibo PublicAvogadro 2 plugin + CLI for computing Intrinsic Bond Orbitals (IBOs) via Psi4
Python
-
mmff94-ts
mmff94-ts PublicPure TypeScript MMFF94 — energy, gradients, geometry optimization
TypeScript
-
-
-
JANPAforge
JANPAforge PublicORCA-to-JANPA pipeline with Molden file repair, viewer-ready exports, and a standalone E2 perturbation (donor→acceptor) analyzer.
Python
Something went wrong, please refresh the page to try again.
If the problem persists, check the GitHub status page or contact support.
If the problem persists, check the GitHub status page or contact support.


