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:
pip install -r requirements-backend.txt
python backend.py
then set the endpoint to http://127.0.0.1:8000.