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History: 36 commits

Sindhuja.Sivaraman

Fix: Descriptors.MolecularFormula → rdMolDescriptors.CalcMolFormula (RDKit API)

f240693 7 days ago

app
Fix: Descriptors.MolecularFormula → rdMolDescriptors.CalcMolFormula (RDKit API) 7 days ago
config
v0.14.0 — Multimodal NMR pipeline: feature extraction, Gaussian scoring, Tier 2, SSE streaming 7 days ago
prompts
Add structure CONSTRUCTION: LLM builds SMILES from confirmed fragments + connectivity + formula, validates with RDKit — real elucidation, not just database lookup 7 days ago
scripts
Deploy Curie API v1 — NMR elucidation pipeline 16 days ago
.dockerignore

186 Bytes
Deploy Curie API v1 — NMR elucidation pipeline 16 days ago
.env.example

326 Bytes
Initial deploy — Curie FastAPI backend 17 days ago
.gitattributes

44 Bytes
Deploy Curie API v1 — NMR elucidation pipeline 16 days ago
.gitignore

277 Bytes
Ignore raw data files — only index.faiss + meta.json needed at runtime 16 days ago
Dockerfile

686 Bytes
v0.14.0 — Multimodal NMR pipeline: feature extraction, Gaussian scoring, Tier 2, SSE streaming 7 days ago
README.md

334 Bytes
Initial deploy — Curie FastAPI backend 17 days ago
requirements.txt

356 Bytes
v0.14.0 — Multimodal NMR pipeline: feature extraction, Gaussian scoring, Tier 2, SSE streaming 7 days ago
run.py

285 Bytes
Initial deploy — Curie FastAPI backend 17 days ago