Masked learning

.github/workflows/ci.yml

@@ -22,7 +22,7 @@ jobs:
           - ubuntu-latest
           - windows-latest
         python-version:
-          - 3.9
+          - '3.10'
 
     steps:
       - uses: actions/checkout@v3

.gitignore

@@ -5,6 +5,9 @@ __pycache__/
 
 examples/data/
 
+lightning_logs/
+checkpoints/
+
 # C extensions
 *.so
 

README.md

@@ -37,6 +37,10 @@ More detailed and comprehensive documentation in [DeepMol readthedocs](https://d
 - [Regression](https://colab.research.google.com/drive/1vE-Q01orImdD4qFTo20MAT4E4kP2hsYF?usp=sharing)
 - [Multi-task/multi-label](https://colab.research.google.com/drive/18z2vN6zLNSVJ3qgskKZTYxA_t9UNS1b8?usp=sharing)
 
+### DeepMol models
+
+All deployed DeepMol models are available in [here](https://github.com/BioSystemsUM/deepmol_case_studies). An example to obtain predictions with deployed models is available in [here](https://colab.research.google.com/drive/1_I-f7jQPx2AR76h431x4AdV5Peybs5LO?usp=sharing). Installation of the models' API can be done via pip as in [here](https://pypi.org/project/deepmol-models/).
+
 ### Table of contents:
 
 - [Installation](#installation)

examples/notebooks/featurization.ipynb

@@ -2344,7 +2344,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "deepmol",
    "language": "python",
    "name": "python3"
   },
@@ -2358,7 +2358,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.14"
+   "version": "3.11.13"
   }
  },
  "nbformat": 4,