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Added installation instructions to README (#49)
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* Added installation instructions to README

* Minor updates
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peastman authored Feb 4, 2023
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This is a high level API for using machine learning models in OpenMM simulations. With just a few lines of code, you
can set up a simulation that uses a standard, pretrained model to represent some or all of the interactions in a system.

The current version is an early release. The only supported potential functions are ANI-1ccx and ANI-2x. They are
In the current release, the only supported potential functions are [ANI-1ccx](https://www.nature.com/articles/s41467-019-10827-4)
and [ANI-2x](https://pubs.acs.org/doi/full/10.1021/acs.jctc.0c00121), using the implementations in [TorchANI](https://github.com/aiqm/torchani). They are
suitable for small molecules involving a limited set of elements and no charges. Future releases will add new potential
functions that support a much wider range of molecules.

### Installation

OpenMM-ML can be installed with conda or mamba.

```bash
mamba install -c conda-forge openmm-ml
```

We recommend using mamba, since it is faster and less buggy than conda.

### Usage

To use this package, create a MLPotential object, specifying the name of the potential function to use. You can then
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