PDN VS ScaffoldGraph

Compare PDN vs ScaffoldGraph and see what are their differences.

PDN

The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21) (by benedekrozemberczki)
Gcn Gnn Deepwalk Multiplex Graph2vec Pytorch graph-neural-network Deep Learning pathfinder message-passing neural-message-passing cheminformatics molecules graph-classification node-classification network-science Data Science Transformer Bert gpt-3
Source Code
arxiv.org
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ScaffoldGraph

ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees. (by UCLCheminformatics)
rdkit Networkx scaffold-networks scaffold-trees cheminformatics murcko Fragments molecules scaffolds hiers Chemistry computational-chemistry
Source Code
doi.org
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PDN ScaffoldGraph
1 1
57 158
- 4.4%
0.0 2.7
over 1 year ago over 2 years ago
Python Python
GNU General Public License v3.0 only MIT License
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.

PDN

Posts with mentions or reviews of PDN. We have used some of these posts to build our list of alternatives and similar projects.

ScaffoldGraph

Posts with mentions or reviews of ScaffoldGraph. We have used some of these posts to build our list of alternatives and similar projects.

What are some alternatives?

When comparing PDN and ScaffoldGraph you can also consider the following projects:

awesome-graph-classification - A collection of important graph embedding, classification and representation learning papers with implementations.

asciiMol - Curses based ASCII molecule viewer for terminals.

gnn - TensorFlow GNN is a library to build Graph Neural Networks on the TensorFlow platform.

octadist - A tool for calculating distortion parameters in coordination complexes.

pytorch-lightning - Build high-performance AI models with PyTorch Lightning (organized PyTorch). Deploy models with Lightning Apps (organized Python to build end-to-end ML systems). [Moved to: https://github.com/Lightning-AI/lightning]

thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

gnn-lspe - Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations), ICLR 2022

xyz2mol - Converts an xyz file to an RDKit mol object

karateclub - Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)

datamol - Molecular Processing Made Easy.

best-of-ml-python - 🏆 A ranked list of awesome machine learning Python libraries. Updated weekly.

Scopy - An integrated negative design python library for desirable HTS/VS database design

PDN vs awesome-graph-classification ScaffoldGraph vs asciiMol PDN vs gnn ScaffoldGraph vs octadist PDN vs pytorch-lightning ScaffoldGraph vs thermo PDN vs gnn-lspe ScaffoldGraph vs xyz2mol PDN vs karateclub ScaffoldGraph vs datamol PDN vs best-of-ml-python ScaffoldGraph vs Scopy