2026.10 Release Notes
ASKCOS Development
Software package for the prediction of feasible synthetic routes towards a desired compound and associated tasks related to synthesis planning. Originally developed under the DARPA Make-It program and now being developed under the MLPDS Consortium.
askcos-vue-nginx
- Add capability to filter routes by reaction (Issue mlpds_mit/askcosv2/askcos-vue-nginx#401)
- fix(Forward): make impurity atom mapper configurable (Issue mlpds_mit/askcosv2/askcos-vue-nginx#400)
- feature(Drawing): add image to SMILES conversion into drawing tool (Issue mlpds_mit/askcosv2/askcos-vue-nginx#397)
- fix(IPP): reopening saved tree builder result from recents returns 500 (Issue mlpds_mit/askcosv2/askcos-vue-nginx#392)
- Add loading state for result retrieval (MR [mlpds_mit/askcosv2/askcos-vue-nginx!300]( https://gitlab.com/mlpds_mit/askcosv2/askcos-vue-nginx/-/ merge_requests /300))
- 2026-10 release fix (MR [mlpds_mit/askcosv2/askcos-vue-nginx!299]( https://gitlab.com/mlpds_mit/askcosv2/askcos-vue-nginx/-/ merge_requests /299))
- Fix 500 when reopening saved IPP result from tree builder (MR [mlpds_mit/askcosv2/askcos-vue-nginx!297]( https://gitlab.com/mlpds_mit/askcosv2/askcos-vue-nginx/-/ merge_requests /297))
- Add reaction filtering functionality to Tree View (MR [mlpds_mit/askcosv2/askcos-vue-nginx!296]( https://gitlab.com/mlpds_mit/askcosv2/askcos-vue-nginx/-/ merge_requests /296))
- Feature/images to smiles (MR [mlpds_mit/askcosv2/askcos-vue-nginx!295]( https://gitlab.com/mlpds_mit/askcosv2/askcos-vue-nginx/-/ merge_requests /295))
- Add atom mapping backend selection to Forward (MR mlpds_mit/askcosv2/askcos-vue-nginx!294)
askcos2_core
- Core package version conflict (Issue mlpds_mit/askcosv2/askcos2_core#193)
- Impurity wrapper field mismatch (Issue mlpds_mit/askcosv2/askcos2_core#192)
- Update Oct 2026 Chemspace database (MR mlpds_mit/askcosv2/askcos2_core!180)
- add deploy-with-keycloak script (MR mlpds_mit/askcosv2/askcos2_core!179)
- Derive VITE_ENABLE_IMAGE_TO_SMILES from ocsr_molscribe module config (MR mlpds_mit/askcosv2/askcos2_core!177)
- Add MolScribe image-to-SMILES wrapper and config wiring. (MR mlpds_mit/askcosv2/askcos2_core!172)
askcos2_deploy
- Update Oct 2026 Chemspace database (MR mlpds_mit/askcosv2/askcos2_deploy!66)
- add deploy-with-keycloak script (MR mlpds_mit/askcosv2/askcos2_deploy!63)
molecular_complexity
- removing pkg_resources from import (MR mlpds_mit/askcosv2/molecular_complexity!9)
Deployment
We currently support two methods for deploying ASKCOS: Docker Compose (recommended) and Kubernetes (limited support). Docker Compose is a simpler method for deploying on a single workstation, while Kubernetes is more complex but is suitable for scaling across multiple nodes.
Hardware and Software Requirements
Please review the hardware and software requirements before proceeding to install ASKCOSv2.
Deployment options
ASKCOS is highly modularized and can be installed locally in two ways (click the links for installation instructions):
Upgrade Information
ASKCOSv2 can be easily upgraded by following the instructions here.
Member companies can find more deployment options on the members site