Vernalis – KNIME Hub

244 results

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Node / LoopEnd
Benchmark End (Memory Monitoring) (3 ports)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

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Node / Manipulator
Extract Column Properties

Community Nodes Vernalis Miscellaneous
+1

This node extracts the column properties for the selected column(s) to a new table. The new table contains three String columns, …

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Node / Manipulator
List To Set Convertor

Community Nodes Vernalis Collections
+1

This nodes converts any List collection cells in selected columns to Set collection cells. List collections have a defined order,…

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Workflow
SMARTSViewer Example

Vernalis SMARTSViewer

This workflow demonstrates a simple use case of rendering SMARTs strings sketched by a user in the MarvinSketch node using the SM…

knime > Examples > 99_Community > 04_Vernalis > 02_SMARTSViewer

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Workflow
Speedy SMILES ChEMBL Preprocessing and Benchmarking

Vernalis Speedy SMILES Benchmarking
+3

This workflow demonstrates the use of the Vernalis Speedy SMILES nodes to pre-process and filter a table of molecules from ChEMBL…

knime > Examples > 99_Community > 04_Vernalis > 05_Speedy_SMILES_ChEMBL_Preprocessing_Benchmarking

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Workflow
Simple Matched Molecular Pairs (MMP) Example

Matched Molecular Pairs MMP MMPA
+4

This workflow provides a simple example of generating matched molecular pairs (MMPs) from a set of compounds and using them to pr…

knime > Examples > 99_Community > 04_Vernalis > 03_Simple_MMP_Example

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Node / Visualizer
1D Kernel Density Plot

Community Nodes Vernalis Plotting (Views)
+1

This node plots a 1D Kernel density function based on an incoming data table

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Node / Visualizer
2D Kernel Density Plot

Community Nodes Vernalis Plotting (Views)
+1

This node plots a 2D Kernel density function based on an incoming data table

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Node / Manipulator
Align to Inertial Principal Axes

Community Nodes Vernalis Chemistry
+1

The node moves the centre of mass to the origin and rotates the molecule to align the co-ordinate axes with the inertial principa…

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Node / Manipulator
Append Plate Well IDs

Community Nodes Vernalis Miscellaneous
+2

This node appends plate and well IDs to a table. The user selects the plate size and fill direction. The node appends the followi…

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Node / Manipulator
Append to Collection

Community Nodes Vernalis Collections
+1

This node adds the cells from one or more columns to the end of the cells contained within a collection column. Optionally, the s…

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Node / Manipulator
Apply Transforms (RDKit) (Experimental)

Community Nodes Vernalis Matched Molecular Pairs (MMPs)
+1

This node transforms input structures according to the Matched Molecular Pair transforms generated in the incoming table. If a tr…

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Node / LoopEnd
Benchmark End

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

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Node / LoopEnd
Benchmark End (2 ports)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
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Node / LoopEnd
Benchmark End (3 ports)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
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Node / LoopEnd
Benchmark End (Flow Variable)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
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Node / LoopEnd
Benchmark End (Flow Variable) (Memory Monitoring)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
Go to item

Node / LoopEnd
Benchmark End (Memory Monitoring)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
Go to item

Node / LoopEnd
Benchmark End (Memory Monitoring) (2 ports)

Community Nodes Vernalis Testing
+1

This node provides the end of a timing block for monitoring performance of a node or nodes. It needs to be paired with a correspo…

0
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Node / LoopStart
Benchmark Start

Community Nodes Vernalis Testing
+1

This node provides the start of a timing block for monitoring performance of a node or nodes. It needs to be paired with a corres…

0

Filter

Benchmark End (Memory Monitoring) (3 ports)

Extract Column Properties

List To Set Convertor

SMARTSViewer Example

Speedy SMILES ChEMBL Preprocessing and Benchmarking

Simple Matched Molecular Pairs (MMP) Example

1D Kernel Density Plot

2D Kernel Density Plot

Align to Inertial Principal Axes

Append Plate Well IDs

Append to Collection

Apply Transforms (RDKit) (Experimental)

Benchmark End

Benchmark End (2 ports)

Benchmark End (3 ports)

Benchmark End (Flow Variable)

Benchmark End (Flow Variable) (Memory Monitoring)

Benchmark End (Memory Monitoring)

Benchmark End (Memory Monitoring) (2 ports)

Benchmark Start