update
Browse files- app.py +1 -0
- model_cards/article.md +1 -1
- utils.py +1 -2
app.py
CHANGED
|
@@ -27,6 +27,7 @@ def run_inference(
|
|
| 27 |
beam_size=beam_size,
|
| 28 |
num_samples=4,
|
| 29 |
seed=seed,
|
|
|
|
| 30 |
)
|
| 31 |
model = MoLeR(configuration=config)
|
| 32 |
samples = list(model.sample(number_of_samples))
|
|
|
|
| 27 |
beam_size=beam_size,
|
| 28 |
num_samples=4,
|
| 29 |
seed=seed,
|
| 30 |
+
num_workers=1,
|
| 31 |
)
|
| 32 |
model = MoLeR(configuration=config)
|
| 33 |
samples = list(model.sample(number_of_samples))
|
model_cards/article.md
CHANGED
|
@@ -5,7 +5,7 @@
|
|
| 5 |
### Algorithm Version:
|
| 6 |
Which model checkpoint to use (trained on different datasets).
|
| 7 |
|
| 8 |
-
### Number of samples
|
| 9 |
How many samples should be generated (between 1 and 50).
|
| 10 |
|
| 11 |
|
|
|
|
| 5 |
### Algorithm Version:
|
| 6 |
Which model checkpoint to use (trained on different datasets).
|
| 7 |
|
| 8 |
+
### Number of samples:
|
| 9 |
How many samples should be generated (between 1 and 50).
|
| 10 |
|
| 11 |
|
utils.py
CHANGED
|
@@ -15,7 +15,6 @@ logger.addHandler(logging.NullHandler())
|
|
| 15 |
|
| 16 |
def draw_grid_generate(
|
| 17 |
samples: List[Tuple[str]],
|
| 18 |
-
domain: str = "molecules",
|
| 19 |
n_cols: int = 5,
|
| 20 |
size=(140, 200),
|
| 21 |
) -> str:
|
|
@@ -37,7 +36,7 @@ def draw_grid_generate(
|
|
| 37 |
)
|
| 38 |
|
| 39 |
result_df = pd.DataFrame(result)
|
| 40 |
-
print(
|
| 41 |
obj = mols2grid.display(
|
| 42 |
result_df,
|
| 43 |
tooltip=list(result.keys()),
|
|
|
|
| 15 |
|
| 16 |
def draw_grid_generate(
|
| 17 |
samples: List[Tuple[str]],
|
|
|
|
| 18 |
n_cols: int = 5,
|
| 19 |
size=(140, 200),
|
| 20 |
) -> str:
|
|
|
|
| 36 |
)
|
| 37 |
|
| 38 |
result_df = pd.DataFrame(result)
|
| 39 |
+
print("RESTULT", result_df)
|
| 40 |
obj = mols2grid.display(
|
| 41 |
result_df,
|
| 42 |
tooltip=list(result.keys()),
|