SDD Wiki

Backlog — organized by Aim and Task

Statuses are auto-maintained by plan-sync skill — do not hand-edit status columns. See project-state/PLAN_STATUS.md for live rollup.

Canonical taxonomy per PROJECT_TAXONOMY.md. Stage codes in STAGE_CODES.md.

Aim 1 — Automated data pipeline

TaskTitleLegacy IDTierETAStatus
Task 1.1Daily ChEMBL scavenge + delta reportingG-001localDONE
Task 1.2Scaveng→Hermes enrichment loop (rank new molecules, seed wiki pages)G-012Hermes + local2 dpending
Task 1.2.aImplement ranker script for ChEMBL delta parsinglocalsubtask pending
Task 1.2.bAutomated wiki stub creation for top hitsHermessubtask pending
Task 1.3Entity-page templates (molecule / target / pathway / gene-set)G-013Hermes1 dpending
Task 1.3.aMolecule template design (SMILES, properties)Hermessubtask pending
Task 1.3.bTarget/Pathway template design (UniProt, KEGG)Hermessubtask pending

Aim 2 — Computational analysis of PHGDH inhibitors

TaskTitleLegacy IDTierETAStatus
Task 2.1pChEMBL distribution figureG-002localDONE
Task 2.2Top-20 PHGDH inhibitors by pChEMBL ≥ 7G-003localDONE
Task 2.3PDB binding-site annotation (4NJN/6RIH/7S3R + more)G-005localDONE
Task 2.4Scaffold clustering of top-20 (RDKit Murcko)G-014local1 dpending

Aim 3 — Literature synthesis & knowledge graph

TaskTitleLegacy IDTierETAStatus
Task 3.1PubMed sweep “PHGDH all allosteric / RBD” 2024-2026G-004localDONE
Task 3.2Wiki page phgdh-scavenger — pipeline, schema, outputG-008Hermes1 dpending
Task 3.2.aDocument technical pipeline & data schemaHermessubtask pending
Task 3.2.bCreate “How-to” guide for scaffold scavengerHermessubtask pending
Task 3.3Monthly 2025 AI-drug-discovery digest (Jan 2025)G-011Hermes2 dpending
Task 3.3.aArXiv curation (Jan 2025)Hermessubtask pending
Task 3.3.bGenerate summary for Telegram/WikiHermessubtask pending
Task 3.4Publish 3 wiki drafts + 20 Gemma concept stubsG-015user-gated1 dpending
Task 3.4.aMetadata & link audit for new pageslocalsubtask pending
Task 3.4.bGit automation (commit/push) for all draftslocalsubtask pending

Aim 4 — Structure-based virtual screening on Cheaha HPC

TaskTitleLegacy IDTierETAStatus
Task 4.1Cheaha workspace setup + first dockG-006cheahaDONE
Task 4.2Vina top-20 × 6RIH K4T pocket — ranked CSV + scatterG-007cheaha1 dIN_PROGRESS
Task 4.2.aFilter hits by docking scorecheahasubtask pending
Task 4.2.bCluster hits by scaffoldlocal (rdkit)subtask pending
Task 4.2.cRe-score top-50 with short MDcheaha2 dsubtask pending
Task 4.2.dGenerate Scatter plot (Score vs. Ligand Efficiency)localsubtask pending
Task 4.2.eExport ranked results to CSVlocalsubtask pending
Task 4.3Scale-out: top-500 SMILES virtual screenG-016cheaha3 dpending
Task 4.4Port Fan Li 2026 CLM: LSTM pretrain + 5-step incremental FT on PHGDH SMILESG-018local (L0 GPU)3 dACTIVE
Task 4.5Vina rerank top-500 CLM generations into 6RIH K4T pocketG-019cheaha2 dpending
Task 4.6Bimodal combined-score shortlist + synthesis triageG-020local1 dpending

Aim 5 — Scientific deliverables

TaskTitleLegacy IDTierETAStatus
Task 5.1Paper introduction draftG-009Chrome-Claude2 dpending
Task 5.2Repo README + pipeline diagramG-010local1 dpending
Task 5.3Poster (L4 deliverable)G-017local3 dpending

Aim ∞ — Infrastructure (cross-cutting, complete 2026-04-18)

TaskTitleStatus
Inf.1liveness-audit skillDONE
Inf.2age-scoring skill (reverse-NIH + samplers + baselines)DONE
Inf.3notifier skill (Telegram proactive)DONE
Inf.4resilience skill (atomic + queues + checkpoint + boot recovery)DONE
Inf.5auto-forresolver skill (playbook + escalation ladder)DONE
Inf.6plan-sync skill (auto BACKLOG reconciliation)DONE
Inf.7STAGE_CODES.md (X = eXpense canonical)DONE

Rules

  • One task active at atime (PLEASER-ONE).
  • plan-sync updates this file automatically — do not hand-edit statuses.
  • Task promotion respects Aim dependencies (e.g. Task 4.2 needs 4.1; Task 5.1 needs Aim 2 + 3 output).
  • When stuck > 3 attempts, escalate to Resolver (see PROJECT_TAXONOMY.md §5).