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Release 0.2
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pabloferz authored May 3, 2022
2 parents e1a3668 + 5f222dd commit 29b9d93
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12 changes: 11 additions & 1 deletion CONTRIBUTORS.md
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Expand Up @@ -9,6 +9,7 @@ PySAGES Team
### Backends

- Pablo Zubieta
- Ludwig Schneider

### Collective Variables

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details. Specific contributions to this repository are listed below

- Pablo Zubieta
- Ludwig Schneider
- [Gustavo Pérez-Lemus](https://github.com/gustavor101)
- [Siva Dassety](https://github.com/sivadasetty)

### Machine Learning submodule (`nn`)
### Machine Learning submodule (`ml`)

- Pablo Zubieta

### Documentation

- Pablo Zubieta
- Ludwig Schneider
- [Riccardo Alessandri](https://github.com/ricalessandri)

### Other

For other contributions such as bugfixes or performance improvements, take a look at
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4 changes: 2 additions & 2 deletions docs/source/conf.py
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)

# The full version, including alpha/beta/rc tags
release = "0.1.0"
version = "0.1.0"
release = "0.2.0"
version = "0.2.0"

# -- General configuration ---------------------------------------------------

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12 changes: 8 additions & 4 deletions docs/source/index.rst
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You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
PySAGES! No compromises in usability and speed for advanced sampling methods.
=============================================================================
PySAGES: Python Suite for Advanced General Ensemble Simulations
===============================================================

WIP
PySAGES combines advanced sampling methods from other
No compromises in usability and speed for advanced sampling methods!
--------------------------------------------------------------------

PySAGES provides an extensible framework to compute collective variables and to perform
enhanced-sampling molecular dynamics simulations to discover reation pathways and estimate
free energies.

.. toctree::
:maxdepth: 2
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