caithmac commited on
Commit
ef1fbe2
·
verified ·
1 Parent(s): a6a7348

Link Colab examples and Python 3.12 support

Browse files
Files changed (1) hide show
  1. README.md +4 -2
README.md CHANGED
@@ -16,7 +16,7 @@ tags:
16
 
17
  ## Use
18
 
19
- Install the [GRASP code repository](https://github.com/caithmac/GRASP) in Python 3.10, then:
20
 
21
  ```python
22
  from grasp import GRASPEncoder
@@ -26,7 +26,9 @@ embeddings = model.encode(["CCO", "c1ccccc1"])
26
  print(embeddings.shape) # (2, 768)
27
  ```
28
 
29
- This returns the final encoder-layer CLS state. The encoder does not output experimental property predictions by itself. The paper's primary OpenADMET protocol learns a layer mixture, atom-attention pooler, and endpoint head; the repository provides full, LoRA, and frozen fine-tuning modes for new labeled datasets.
 
 
30
 
31
  ## Model details and evaluation
32
 
 
16
 
17
  ## Use
18
 
19
+ Install the [GRASP code repository](https://github.com/caithmac/GRASP) in Python 3.10–3.12, then:
20
 
21
  ```python
22
  from grasp import GRASPEncoder
 
26
  print(embeddings.shape) # (2, 768)
27
  ```
28
 
29
+ This returns the final encoder-layer CLS state. The encoder does not output experimental property predictions by itself. The paper's primary OpenADMET protocol learns a layer mixture, atom-attention pooler, and endpoint head; the repository provides full, LoRA, and frozen fine-tuning modes for new labeled datasets.
30
+
31
+ For a browser-based start, open the [embedding notebook in Colab](https://colab.research.google.com/github/caithmac/GRASP/blob/main/notebooks/01_embeddings.ipynb) or the [fine-tuning notebook](https://colab.research.google.com/github/caithmac/GRASP/blob/main/notebooks/02_finetune.ipynb).
32
 
33
  ## Model details and evaluation
34