README for resources (#491)

* README for resources [WIP]

* Update README.md

* Update README.md

* Update models.py

README.md

@@ -30,6 +30,7 @@ TorchANI is a pytorch implementation of ANI. It is currently under alpha release
 
 <img src=https://raw.githubusercontent.com/aiqm/torchani/master/logo2.png width=500/>
 
+
 # Install
 
 TorchANI requires the latest preview version of PyTorch. You can install PyTorch by the following commands (assuming cuda10):
@@ -59,12 +60,18 @@ To run the tests and examples, you must manually download a data package
 ./download.sh
 ```
 
+
 # Paper
 TorchANI [Preprint](https://chemrxiv.org/articles/TorchANI_A_Free_and_Open_Source_PyTorch_Based_Deep_Learning_Implementation_of_the_ANI_Neural_Network_Potentials/12218294)
 
 * Gao X, Ramezanghorbani F, Isayev O, Smith JS, Roitberg AE. TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials. [![DOI for Citing](https://img.shields.io/badge/DOI-10.26434%2Fchemrxiv.12218294.v1-green.svg)](https://doi.org/10.26434/chemrxiv.12218294.v1)
 
-See also: [isayev/ASE_ANI](https://github.com/isayev/ASE_ANI)
+
+# ANI model parameters
+All the ANI model parameters including (ANI2x, ANI1x, and ANI1ccx) are accessible from the following repositories:
+- [isayev/ASE_ANI](https://github.com/isayev/ASE_ANI)
+- [aiqm/ani-model-zoo](https://github.com/aiqm/ani-model-zoo)
+
 
 # Develop
 
@@ -88,6 +95,7 @@ If you opened a pull request, you could see your generated documents at https://
 Keep in mind that this repository is only for the purpose of convenience of development, and only keeps the latest push.
 The CI runing for other pull requests might overwrite this repository. You could rerun the `docs` check to overwrite this repo to your build.
 
+
 # Note to TorchANI developers
 
 Never commit to the master branch directly. If you need to change something, create a new branch, submit a PR on GitHub.

torchani/models.py

@@ -2,11 +2,16 @@
 """The ANI model zoo that stores public ANI models.
 
 Currently the model zoo has three models: ANI-1x, ANI-1ccx, and ANI-2x.
-The classes of these models are :class:`ANI1x`, :class:`ANI1ccx`, and
-:class:`ANI2x` these are subclasses of :class:`torch.nn.Module`.
+The parameters of these models are stored in `ani-model-zoo`_ repository and
+will be automatically downloaded the first time any of these models are
+instantiated. The classes of these models are :class:`ANI1x`, :class:`ANI1ccx`,
+and :class:`ANI2x` these are subclasses of :class:`torch.nn.Module`.
 To use the models just instantiate them and either
 directly calculate energies or get an ASE calculator. For example:
 
+.. _ani-model-zoo:
+    https://github.com/aiqm/ani-model-zoo
+
 .. code-block:: python
 
     ani1x = torchani.models.ANI1x()

torchani/resources/README.md

+# ANI model parameters 
+
+Please note that ANI2x, and ANI1ccx model parameters have been move to https://github.com/aiqm/ani-model-zoo in an effort to reduce the size of TorchANI for deployment.
+
+These parameters will be automatically downloaded once the Built-in classes are called.