heloise-chomet commited on
Commit
05fafa1
·
verified ·
1 Parent(s): 21dcc21

fix: typo in table generation

Browse files
Files changed (1) hide show
  1. README.md +6 -0
README.md CHANGED
@@ -20,6 +20,8 @@ For complete usage instructions and more information, please refer to our [docum
20
  | `vecnorm_type` | `None` | Type of the vector norm. |
21
  | `atomic_energies` | `average`| Treatment of the atomic energies. |
22
  | `avg_um_neighbors` | `None` | Mean number of neighbors. |
 
 
23
  For more information about ViSNet hyperparameters,
24
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/models/visnet.html#mlip.models.visnet.config.VisnetConfig)
25
  ## Training
@@ -38,6 +40,8 @@ We use our default MLIP optimizer in v1.0.0 with the following settings:
38
  | `transition_steps` | `360000` | Number of optimizer transition steps. |
39
  | `grad_norm` | `500` | Gradient norm used for gradient clipping. |
40
  | `num_gradient_accumulation_steps`| `1` | Steps to accumulate before taking an optimizer step. |
 
 
41
  For more information about the optimizer,
42
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/training/optimizer.html#mlip.training.optimizer_config.OptimizerConfig)
43
  ## Dataset
@@ -47,6 +51,8 @@ please refer to our [documentation](https://instadeep.github.io/mlip/api_referen
47
  | `max_n_node` | `32` | Maximum number of nodes allowed in a batch.|
48
  | `max_n_edge` | `288` | Maximum number of edges allowed in a batch.|
49
  | `batch_size` | `16` | Number of graphs in a batch. |
 
 
50
  This model was trained on the [SPICE2_curated dataset](https://huggingface.co/datasets/InstaDeepAI/SPICE2-curated).
51
  For more information about dataset configuration
52
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/data/dataset_configs.html#mlip.data.configs.GraphDatasetBuilderConfig)
 
20
  | `vecnorm_type` | `None` | Type of the vector norm. |
21
  | `atomic_energies` | `average`| Treatment of the atomic energies. |
22
  | `avg_um_neighbors` | `None` | Mean number of neighbors. |
23
+
24
+
25
  For more information about ViSNet hyperparameters,
26
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/models/visnet.html#mlip.models.visnet.config.VisnetConfig)
27
  ## Training
 
40
  | `transition_steps` | `360000` | Number of optimizer transition steps. |
41
  | `grad_norm` | `500` | Gradient norm used for gradient clipping. |
42
  | `num_gradient_accumulation_steps`| `1` | Steps to accumulate before taking an optimizer step. |
43
+
44
+
45
  For more information about the optimizer,
46
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/training/optimizer.html#mlip.training.optimizer_config.OptimizerConfig)
47
  ## Dataset
 
51
  | `max_n_node` | `32` | Maximum number of nodes allowed in a batch.|
52
  | `max_n_edge` | `288` | Maximum number of edges allowed in a batch.|
53
  | `batch_size` | `16` | Number of graphs in a batch. |
54
+
55
+
56
  This model was trained on the [SPICE2_curated dataset](https://huggingface.co/datasets/InstaDeepAI/SPICE2-curated).
57
  For more information about dataset configuration
58
  please refer to our [documentation](https://instadeep.github.io/mlip/api_reference/data/dataset_configs.html#mlip.data.configs.GraphDatasetBuilderConfig)