Approach II: different optimization algorithms
- Lily Wang
Owned by Lily Wang
Nov 11, 2024
1 min read
Loading data...
A valence fit to existing QM small molecule + protein data with a different optimization algorithm.
Overview
Summary | One reason our protein force field candidates may not approach the performance of AMBER force fields may be because we are getting stuck in a nearby local minimum with the L-BFGS optimizer. Using a different optimization algorithm, such as simulated annealing, might get us better results. This is related to the looser torsion priors approach. |
|---|---|
GitHub repo/branch | |
Status | Not started In progress Completed Won't progress |
Milestones and metrics
Stage | Milestone/Benchmark | Contributors | Deadline | Status |
|---|---|---|---|---|
Not started In progress Completed | ||||
Benchmark |
|
| Passed Failed | |
|
|
|
|
|
Progress and findings
Curated data (or similar title)