267 results
- Go to itemThis is an alternative way to read the .txt files from the Cambridge Metrabase's download links. It is to be used for cases when …1
- Go to itemA simple example workflow of how to use the various PMI (Principal Moments of Inertia) plotting nodes1
- Go to itemThis workflow demonstrates a simple use case of rendering SMARTs strings sketched by a user in the MarvinSketch node using the SM…0
- Go to itemThis workflow provides a simple example of generating matched molecular pairs (MMPs) from a set of compounds and using them to pr…0
- Go to itemThis workflow demonstrates the use of the Vernalis Speedy SMILES nodes to pre-process and filter a table of molecules from ChEMBL…0
- Go to itemThe node generates an SVG rendering of pairs of aligned sequences. This node was developed by Vernalis Research . For feedback an…0
- Go to itemThe node performs count and / or %age analysis of sequence residue types This node was developed by Vernalis Research . For feedb…0
- Go to itemThe node generates SMILES representations of sequences according to the preferences set by the user This node was developed by Ve…0
- Go to itemThis node compresses a binary object column using the gzip compression algorithm. The node also reports the compression ratio (le…0
- Go to itemThis node compresses a binary object column using the gzip compression algorithm This node was developed by Vernalis Research (Ca…0
- Go to itemThis node decompresses a binary object column using the zip compression algorithm. Endividual ZIP entries are output on individua…0
- Go to itemThis node compresses a binary object column using the zip compression algorithm. A second column provides paths within the result…0
- Go to itemThis node plots a Principal Moments of Intertia (PMI) Triangle Kernel density function based on an incoming data table of normali…0
- Go to itemThis node generates a PMI plot with the points in convex hulls according to an optional grouping column This node was developed b…0
- Go to itemThis node plots a basic PMI Triangle scatter plot, in which each input row is represented by a symbol on the plot within the PMI …0
- Go to itemThis node calculates the Principle Moments of Inertia (PMIs) for a molecule, and the normalised ratios (nPMIs) I1/I3 and I2/I3, w…0
- Go to itemThis node calculates Principal Moment of Intertia (PMI)-Derived Properties The properties are: PMI 1 - First (smallest) Principal…0
- Go to itemThis node calculates Force Fields The properties are: MMFF94 Energy - The MMFF94 energy of the conformer MMFF94S Energy - The MMF…0
- Go to itemThis node filters conformers according to an RMSD threshold. All conformers of a molecule must be in a List cell in a single row.…0
- Go to itemThis node generates conformers for input molecules using parallel processing, outputting all the generated conformers for each in…0