| --- |
| title: Conformer |
| emoji: 🧬 |
| colorFrom: gray |
| colorTo: blue |
| sdk: static |
| app_file: index.html |
| pinned: false |
| license: mit |
| short_description: AI molecular workbench for strings |
| --- |
| |
| # Conformer |
|
|
| A browser workbench for the BRAID molecular line notation and the BRAIDBERTa / |
| DeepBERTa encoders. Load molecules, convert between representations, draw |
| structures, compute descriptors, benchmark tokenisations, embed and compare |
| encoders, export datasets. |
|
|
| Nothing to install. Structure parsing, drawing, descriptors and fingerprints run |
| entirely in your browser via RDKit's WebAssembly build, so most of the workbench |
| works with no server at all. |
|
|
| BRAID conversion and the encoders need Python — `braids.codec` depends on RDKit |
| APIs that the WebAssembly build does not expose — so those routes are served by |
| a small FastAPI service: |
|
|
| **https://braid-9wc2.onrender.com** |
|
|
| The encoders run there from ONNX graphs exported from the checkpoints below, |
| on CPU. That service is on a free instance and sleeps when idle: the first |
| request after a quiet spell can take ~50 seconds to wake it. Everything |
| browser-side stays instant meanwhile. |
|
|
| - Code: https://github.com/AayushK-othari/braid |
| - Models: https://huggingface.co/aakothari/BRAIDBERTa |
| and https://huggingface.co/aakothari/DeepBERTa_zinc_base_100k_v4 |
|
|
| `GET /version` on the backend returns the git SHA, the pinned model revisions |
| and the installed package versions behind whatever you are looking at. |
|
|
| ## Pointing at your own backend |
|
|
| The workbench's settings panel takes any endpoint. To run the converters and |
| encoders locally instead — nothing leaves your machine: |
|
|
| ```bash |
| pip install -r requirements-backend.txt |
| python backend.py |
| ``` |
|
|
| then set the endpoint to `http://127.0.0.1:8000`. |
