Science Roadmap 2020
This scientific roadmap includes the next two planned force field releases and a list of scientific studies which need to be performed in 2020. Each study has a priority assigned to it. This roadmap can be continuously updated, but the overall status and priorities will be revised and updated in June 2020.
Force Fields
Upcoming force field versions:
Version | Codename | Features | Expected release date | Comment / Blocker |
---|---|---|---|---|
| Parsley |
| Expected: May 2020 Released: Jun 3, 2020 |
|
| Parsley |
| When ready. September-December 2020. |
|
| Sage |
| Exepected: Release date to be set by November 2020 and will have three month lead time. Likely release between December 2020 and Feb. 2021. |
|
Scientific studies
The list of scientific studies which need to be performed in 2020, which will be updated every 3 months, as suggested in the science project management workflow. Each study should be linked to its Confluence page with more information about study design, execution and results. The study design should be submitted before study is about to begin.
Estimate start dates and end dates when possible before study has started. Record the real start and end dates for each study below the estimated dates.
Labels
Category | Labels |
---|---|
Priority | high | MEDIUM | LOW |
Effort | high | MEDIUM | LOW |
Status | Not started | In Progress | PROTOTYPE | Completed | BLOCKED | |
Study | Priority | Effort | Science dependencies | Infrastructure dependencies | Comment | Start date | End date | Status | Driver/Team |
Chemical perception | |||||||||
Addition of new parameters – manually fixing problems
| high | high |
| Made easier by benchmarking dashboard (Optional) | Made easier by benchmarking dashboard (Optional |
|
| in progress | @Hyesu Jang @David Mobley @Jessica Maat (Deactivated) @Victoria Lim (Deactivated) |
Automated typing inference from scratch | Medium | high |
|
| Organise a meeting to coordinate efforts. Update: @Tobias Huefner is doing some basic research, but we don’t have a timeline defined here. Perhaps a more specific study to look at typing issues similar to Schauperl’s work on LJ typing. |
|
| in progressSlowly | Full-time person needed – to be discussed further. Work of @Josh Fass (Deactivated) and @Tobias Huefner may assist here. @Owen Madin interested. @Trevor Gokey is also actively working in this area. |
Mixture Properties | |||||||||
high |
|
|
| In the writing stage. |
|
| COMPLETED | Driver: @Simon Boothroyd |