graphein
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a-r-j
Protein Graph Library
#### Reference Issues/PRs Adds dataloaders for the following built in datasets: #13 * `PROTEINS_METAL` * `PROTEINS_NUCLEIC` * `PROTEINS_LIGANDS` * `PROTEINS_NUCLEOTIDES` #### What does this implement/fix? Explain your changes #### What...
#### Reference Issues/PRs couldn't find an issue that references this #### What does this implement/fix? Explain your changes add support for colouring / sizing asteroid plot nodes by different features....
I'm aiming to generate protein graphs in bulk in order to then perform unsupervised clustering on them. I would also like to repeat this process on several different proteomes. I...
#### Reference Issues/PRs #### What does this implement/fix? Explain your changes Issue #162 a preliminary version of implementation, comments not edited, a couple of points need to be discussed including...
Hi there, Just getting started with Graphein and so far it's awesome, the docs are very helpful too -- my issue is with trying to plot a subgraph from a...
#### What does this implement/fix? Explain your changes The goal of this feature is to provide an easy to use pipeline to perform GNN modelling experiments on protein graphs. Currently,...
Follow on issue for #155 We'd like to support Protein-Ligand Interaction Graphs eg as shown in this image from [this paper](https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01830).  Ideally we can keep this composable under the...
**Describe the solution you'd like** It’d be nice to be able to visualise the distribution of vector features in a manner decoupled from the structure. Perhaps in a way that...
**Is your feature request related to a problem? Please describe.** Currently, we only support PDB files as inputs for protein structure graphs. [Large complexes are now unavailable as PDBs.](https://www.rcsb.org/docs/general-help/structures-without-legacy-pdb-format-files): >...
**Describe the solution you'd like** * inputs for chain selection as a separate .txt file * Input as list of PDB codes (txt file) rather than PDB directory path