2025
an archive of posts from this year
| Aug 26, 2025 | AIQM2 Geometry Optimization with ORCA Opt, SCAN, and Sella TS search |
|---|---|
| May 23, 2025 | QMMESP. Environment-aware RESP charges of ligands |
| May 22, 2025 | Protonation Optimizer |
an archive of posts from this year
| Aug 26, 2025 | AIQM2 Geometry Optimization with ORCA Opt, SCAN, and Sella TS search |
|---|---|
| May 23, 2025 | QMMESP. Environment-aware RESP charges of ligands |
| May 22, 2025 | Protonation Optimizer |