Update README.md
Browse files
README.md
CHANGED
|
@@ -3,10 +3,8 @@ title: Conformer
|
|
| 3 |
emoji: 🧬
|
| 4 |
colorFrom: gray
|
| 5 |
colorTo: blue
|
| 6 |
-
sdk:
|
| 7 |
-
|
| 8 |
-
python_version: '3.12'
|
| 9 |
-
app_file: app.py
|
| 10 |
pinned: false
|
| 11 |
license: mit
|
| 12 |
short_description: BRAID molecular workbench with BRAIDBERTa
|
|
@@ -20,23 +18,35 @@ structures, compute descriptors, benchmark tokenisations, embed and compare
|
|
| 20 |
encoders, export datasets.
|
| 21 |
|
| 22 |
Nothing to install. Structure parsing, drawing, descriptors and fingerprints run
|
| 23 |
-
in your browser via RDKit's WebAssembly build
|
| 24 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 25 |
|
| 26 |
- Code: https://github.com/AayushK-othari/braid
|
| 27 |
-
-
|
|
|
|
|
|
|
|
|
|
|
|
|
| 28 |
|
| 29 |
-
|
| 30 |
-
behind whatever you are looking at.
|
| 31 |
|
| 32 |
-
|
|
|
|
| 33 |
|
| 34 |
-
|
| 35 |
-
|
| 36 |
-
|
| 37 |
-
|
| 38 |
|
| 39 |
-
|
| 40 |
-
`transformers==4.49.0` forbids (`<1.0`). Gradio 5.x is the branch that coexists
|
| 41 |
-
with the transformers 4 stack these results were produced on. Changing this
|
| 42 |
-
number means changing the encoder stack, so re-validate locally before you do.
|
|
|
|
| 3 |
emoji: 🧬
|
| 4 |
colorFrom: gray
|
| 5 |
colorTo: blue
|
| 6 |
+
sdk: static
|
| 7 |
+
app_file: index.html
|
|
|
|
|
|
|
| 8 |
pinned: false
|
| 9 |
license: mit
|
| 10 |
short_description: BRAID molecular workbench with BRAIDBERTa
|
|
|
|
| 18 |
encoders, export datasets.
|
| 19 |
|
| 20 |
Nothing to install. Structure parsing, drawing, descriptors and fingerprints run
|
| 21 |
+
entirely in your browser via RDKit's WebAssembly build, so most of the workbench
|
| 22 |
+
works with no server at all.
|
| 23 |
+
|
| 24 |
+
BRAID conversion and the encoders need Python — `braids.codec` depends on RDKit
|
| 25 |
+
APIs that the WebAssembly build does not expose — so those routes are served by
|
| 26 |
+
a small FastAPI service:
|
| 27 |
+
|
| 28 |
+
**https://braid-9wc2.onrender.com**
|
| 29 |
+
|
| 30 |
+
The encoders run there from ONNX graphs exported from the checkpoints below,
|
| 31 |
+
on CPU. That service is on a free instance and sleeps when idle: the first
|
| 32 |
+
request after a quiet spell can take ~50 seconds to wake it. Everything
|
| 33 |
+
browser-side stays instant meanwhile.
|
| 34 |
|
| 35 |
- Code: https://github.com/AayushK-othari/braid
|
| 36 |
+
- Models: https://huggingface.co/aakothari/BRAIDBERTa
|
| 37 |
+
and https://huggingface.co/aakothari/DeepBERTa_zinc_base_100k_v4
|
| 38 |
+
|
| 39 |
+
`GET /version` on the backend returns the git SHA, the pinned model revisions
|
| 40 |
+
and the installed package versions behind whatever you are looking at.
|
| 41 |
|
| 42 |
+
## Pointing at your own backend
|
|
|
|
| 43 |
|
| 44 |
+
The workbench's settings panel takes any endpoint. To run the converters and
|
| 45 |
+
encoders locally instead — nothing leaves your machine:
|
| 46 |
|
| 47 |
+
```bash
|
| 48 |
+
pip install -r requirements-backend.txt
|
| 49 |
+
python backend.py
|
| 50 |
+
```
|
| 51 |
|
| 52 |
+
then set the endpoint to `http://127.0.0.1:8000`.
|
|
|
|
|
|
|
|
|