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8965dac
Updated download links and information with .vip file pointing toward…
JohnBrittaein Jul 1, 2025
7bef97e
Update formatting and other mistakes
JohnBrittaein Jul 1, 2025
1e994b1
Updated Submission form
JohnBrittaein Jul 1, 2025
3cde30b
Updated TItle to match Series III
JohnBrittaein Jul 1, 2025
cffb5fa
Fixed typo
JohnBrittaein Jul 1, 2025
e870090
Removed requirements section, and other minor tweaks
JohnBrittaein Jul 1, 2025
f2b4b79
fixed typo
JohnBrittaein Jul 1, 2025
2b414c4
Added listings for current plugins (in-development)
JohnBrittaein Jul 3, 2025
cca774d
update plugin catalog (in-development)
JohnBrittaein Jul 3, 2025
417cc28
fixed build warnings
JohnBrittaein Jul 3, 2025
33388ca
Fixed visual bug where the titles within submissions were not shown i…
JohnBrittaein Jul 25, 2025
f09833f
Completed catalog listings
JohnBrittaein Jul 25, 2025
7c5b0c9
Added new Core-Tools sections to include links to non-plugin related …
JohnBrittaein Jul 25, 2025
59f4772
Update source/core_tools/libraries/DynamicReentrant.rst
JohnBrittaein Aug 5, 2025
2e7622d
Update source/first_party/analyzers/waters_patrol_uplc_report_parser.rst
JohnBrittaein Aug 5, 2025
433fbe5
Update source/first_party/optimizers/deep_reaction_optimizer.rst
JohnBrittaein Aug 5, 2025
a64814f
Update source/first_party/optimizers/rxn_q_timing.rst
JohnBrittaein Aug 5, 2025
f5eeb5c
de-nest submissions and core_tools to fix repetitous labels in sidebar
JohnBrittaein Aug 5, 2025
ef3a65a
remove snake_case
JohnBrittaein Aug 5, 2025
b85bb36
remove snake case
JohnBrittaein Aug 5, 2025
32b9067
rename to rxn_q
JohnBrittaein Aug 5, 2025
2609e2f
added review suggestions
JohnBrittaein Aug 5, 2025
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Review Changes
JohnBrittaein Aug 11, 2025
59bf411
Update source/first_party/analyzers/reactir_report_parser.rst
JohnBrittaein Aug 12, 2025
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19 changes: 19 additions & 0 deletions source/core_tools/index.rst
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Core Tools
==========

This section provides a listing of official software tools used by Rxn Rover. These are not plugins, but software components that provide functionality to Rxn Rover itself.

.. toctree::
:maxdepth: 2
:caption: Software

software/index

.. toctree::
:maxdepth: 2
:caption: Libraries

libraries/index



24 changes: 24 additions & 0 deletions source/core_tools/libraries/dynamic_reentrant.rst
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.. _dynamic-reentrant:

Dynamic Reentrant Library
=========================

Description
-----------

The Dynamic Reentrant library facilitates communication between Rxn Rover and its plugins, and helps manage dynamic reentrant VIs.
This library is essential for first-party (and likely most other third-party) plugins to work with Rxn Rover.

Acquisition
-----------

Download and install from the official GitHub release pages listed below.

**Downloads**

- **Quick Installer via VIPM (.vip file):**
`Dynamic Reentrant – Releases <https://github.com/RxnRover/DynamicReentrant/releases>`_

**Source Code**

- `GitHub Repository <https://github.com/RxnRover/DynamicReentrant>`_
8 changes: 8 additions & 0 deletions source/core_tools/libraries/index.rst
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Libraries
=========
This section lists libraries created by Rxn Rover's team that are used for the functionality of Rxn Rover.

.. toctree::
:maxdepth: 1

dynamic_reentrant
7 changes: 7 additions & 0 deletions source/core_tools/software/index.rst
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Software
========

.. toctree::
:maxdepth: 1

rxn_rover
24 changes: 24 additions & 0 deletions source/core_tools/software/rxn_rover.rst
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.. _rxnrover-software:

Rxn Rover Software
==================

Description
-----------

Rxn Rover is an open-source, modular automation platform for reaction discovery and optimization.
Primarily targetting smaller research groups, it is designed using interchangeable plugins to be flexible and easy to integrate into a variety of laboratory environments.

Acquisition
-----------

Download and install from the official GitHub release pages listed below. Also ensure you have installed DynamicReentrant which can be found here :ref:`dynamic-reentrant`.

**Downloads**

- **Quick Installer via VIPM (.vip file):**
`Rxn Rover – Releases <https://github.com/RxnRover/RxnRover/releases>`_

**Source Code**

- `GitHub Repository <https://github.com/RxnRover/RxnRover>`_
1 change: 1 addition & 0 deletions source/first_party/analyzers/index.rst
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Expand Up @@ -9,6 +9,7 @@ submit any questions as new issues tagged with "question".
:maxdepth: 1
:caption: Infrared Spectroscopy

reactir_report_parser

.. toctree::
:maxdepth: 1
Expand Down
25 changes: 18 additions & 7 deletions source/first_party/analyzers/mock_lc_parser.rst
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Mock LC Parser
==============

Description
-----------

Plugin class: Analyzer

This plugin generates and parses report files as if they were generated from a
liquid chromatograph (LC). The data generated is random and this plugin is only
meant to be used as a demonstration of a file parser as an analyzer plugin.

Acquisition
-----------

This plugin is available for download at
`<https://github.com/RxnRover/plugin_mock_lc_parser>`_.
Download and install the plugin and required drivers from the official GitHub release pages listed below.

Description
-----------
**Downloads**

This plugin generates and parses report files as if they were generated from a
liquid chromatograph (LC). The data generated is random and this plugin is only
meant to be used as a demonstration of a file parser as an analyzer plugin.
- **Plugin (.vip file):**
`Mock LC Parser Plugin – Releases <https://github.com/RxnRover/plugin_mock_lc_parser/releases>`_

- **Drivers:**
This plugin does not require any additional drivers.

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_mock_lc_parser>`_
33 changes: 33 additions & 0 deletions source/first_party/analyzers/reactir_report_parser.rst
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ReactIR Report Parser (in-development)
======================================

.. warning::

This plugin is currently in development and is **not publicly accessible at this time**.

Description
-----------

Plugin class: Analyzer

This plugin parses report files output from a ReactIR(TM) to extract the peak intensity of an analyte. The plugin will average the results of any number of scans before reporting a new concentration value to Rxn Rover. A sample report is included with the plugin, whose format must be matched exactly for the parser to work.

Note: The ReactIR trademark is owned by Mettler Toledo and its affiliated entities.


Acquisition
-----------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

- **Plugin (.vip file):**
`React IR Report Parser Plugin – Releases <https://github.com/RxnRover/plugin_reactir_report_parser/releases>`_

- **Drivers:**
This plugin does not require any additional drivers.

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_reactir_report_parser>`_
28 changes: 20 additions & 8 deletions source/first_party/analyzers/waters_patrol_uplc_report_parser.rst
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Waters |tm| Patrol |tm| UPLC |tm| Report Parser [#f1]_
======================================================

Plugin class: Optimizer

Acquisition
-----------

This plugin is available for download at `<https://github.com/RxnRover/plugin_waters_patrol_uplc_report_parser>`_.

Description
-----------

Plugin class: Analyzer

This plugin parses report files output from Waters |tm| Patrol |tm| program to
extract the concentration of an analyte. The plugin will average the results
of three injections before reporting a new concentration value to Rxn Rover.
Expand All @@ -20,4 +15,21 @@ exactly for the parser to work.
.. [#f1] The Waters |tm|, Patrol |tm|, UPLC |tm| trademarks are owned by Waters
Corporation and its affiliated entities.

.. |tm| unicode:: U+2122 .. TRADEMARK SYMBOL
.. |tm| unicode:: U+2122 .. TRADEMARK SYMBOL

Acquisition
-----------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

- **Plugin (.vip file):**
`Waters Patrol UPLC Report Parser – Releases <https://github.com/RxnRover/plugin_waters_patrol_uplc_report_parser/releases>`_
Copy link
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Choose a reason for hiding this comment

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There is no release for this plugin yet.


- **Drivers**: This plugin does not require any additional drivers.

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_waters_patrol_uplc_report_parser>`_

33 changes: 33 additions & 0 deletions source/first_party/optimizers/cyrxnopt.rst
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CyRxnOpt (in-development)
=========================

.. warning::

This plugin is currently in development and is **not publicly accessible at this time**.

Description
-----------

Plugin class: Optimizer

CyRxnOpt is an advanced optimizer plugin which provides a singular interface to use many reaction optimization algorithms, AMLRO, EDBO+, SQSnobFit, and Nelder Mead Simplex.


Acquisition
-----------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

- **Plugin (.vip file):**
`CyRxnOpt Plugin – Releases <https://github.com/RxnRover/plugin_cyrxnopt/releases>`_

- **Drivers:**
`CyRxnOpt Bindings – Releases <https://github.com/RxnRover/cyrxnopt_bindings/releases>`_

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_cyrxnopt>`_
- `Bindings Repository <https://github.com/RxnRover/cyrxnopt_bindings>`_
- `CyRxnOpt Python <https://github.com/RxnRover/CyRxnOpt>`_
22 changes: 15 additions & 7 deletions source/first_party/optimizers/deep_reaction_optimizer.rst
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Expand Up @@ -3,20 +3,28 @@ Deep Reaction Optimizer

Plugin class: Optimizer

Acquisition
-----------

This plugin is available for download at
`<https://github.com/RxnRover/plugin_dro>`_.

Description
-----------

Plugin class: Optimizer

This plugin allows Rxn Rover to connect with an instance of the Deep Reaction
Optimizer. [#dro]_ A Python program is provided with the plugin to launch an
instance of DRO for use with this plugin. This program uses a modified
objective function with built-in communication capabilities. The DRO algorithm,
along with other aspects of the program, can be configured by specifying a
configuration file (example files are provided).

.. [#dro] Zhou, Z.; Li, X.; Zare, R. N., Optimizing Chemical Reactions with Deep Reinforcement Learning. ACS Central Science 2017, 3 (12), 1337-1344.; DOI: 10.1021/acscentsci.7b00492; Code available at: https://github.com/lightingghost/chemopt.
.. [#dro] Zhou, Z.; Li, X.; Zare, R. N., Optimizing Chemical Reactions with Deep Reinforcement Learning. ACS Central Science 2017, 3 (12), 1337-1344.; DOI: 10.1021/acscentsci.7b00492; Code available at: https://github.com/lightingghost/chemopt.


Acquisition
------------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_dro>`_
4 changes: 3 additions & 1 deletion source/first_party/optimizers/index.rst
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Expand Up @@ -11,9 +11,11 @@ submit any questions as new issues tagged with "question".

deep_reaction_optimizer
sqsnobfit
cyrxnopt

.. toctree::
:maxdepth: 1
:caption: Manual Control

rxn_queue
rxn_q
rxn_q_timing
33 changes: 33 additions & 0 deletions source/first_party/optimizers/rxn_q.rst
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Rxn Q (in-development)
======================

.. warning::

This plugin is currently in development and is **not publicly accessible at this time**.

Description
-----------

Plugin class: Optimizer

Rxn Q is a Rxn Rover plugin and stand-alone LabVIEW program that performs a sequence of reaction conditions in the given order. A user can create a queue of reaction conditions using the Rxn Q user interface, or load the reaction queue from a formatted file (see CSV File Format section below). This sequence can be paused, modified or added to, and resumed during an experiment, although changes on the current or previous lines will not take effect!

Note: No timing element is built into Rxn Q. The queue will proceed to the next set of reaction conditions immediately upon submitting the result for the current reaction conditions, or when the current line is skipped.


Acquisition
-----------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

- **Plugin (.vip file):**
`Rxn Q Plugin – Releases <https://github.com/RxnRover/plugin_rxn_q/releases>`_

- **Drivers:**
This plugin does not require any additional drivers.

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_rxn_q>`_
33 changes: 33 additions & 0 deletions source/first_party/optimizers/rxn_q_timing.rst
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Rxn Q With Timing (in-development)
==================================

.. warning::

This plugin is currently in development and is **not publicly accessible at this time**.

Description
-----------

Plugin class: Optimizer

Rxn Q is a Rxn Rover plugin and stand-alone LabVIEW program that performs a sequence of reaction conditions in the given order. A user can create a queue of reaction conditions using the Rxn Q user interface, or load the reaction queue from a formatted file (see CSV File Format section below). This sequence can be paused, modified or added to, and resumed during an experiment, although changes on the current or previous lines will not take effect!

Note: Unlike the original Rxn Queue plugin, this version includes a timing element. The queue will proceed to the next set of reaction conditions after a specified delay, which can be set by the user. This allows for more controlled timing between reactions.


Acquisition
-----------

Download and install the plugin from the official GitHub release page listed below.

**Downloads**

- **Plugin (.vip file):**
`Rxn Q With Timing – Releases <https://github.com/RxnRover/plugin_rxn_q_timing/releases>`_

- **Drivers:**
This plugin does not require any additional drivers.

**Source Code**

- `Plugin Repository <https://github.com/RxnRover/plugin_rxn_q_timing>`_
17 changes: 0 additions & 17 deletions source/first_party/optimizers/rxn_queue.rst

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