chemicalx
diffnet
chemicalx | diffnet | |
---|---|---|
5 | 1 | |
700 | 168 | |
0.7% | - | |
3.1 | 0.0 | |
8 months ago | 9 months ago | |
Python | Python | |
Apache License 2.0 | MIT License |
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chemicalx
- Show HN: What do you need to score drug combos? Sugar, spice, and ChemicalX
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[R] ChemicalX: A Deep Learning Library for Drug Pair Scoring
Code for https://arxiv.org/abs/2202.05240 found: https://github.com/AstraZeneca/chemicalx
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ChemicalX: A Deep Learning Library for Drug Pair Scoring
Link: https://github.com/AstraZeneca/chemicalx
diffnet
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What papers are there on decoding the results of training a network and recasting them?
You seem to like diffusion nets a lot, so here's code for one: https://github.com/PeiJieSun/diffnet Have fun going through the code, every single thing will be explicitly defined at some point in those files.
What are some alternatives?
PyNeuraLogic - PyNeuraLogic lets you use Python to create Differentiable Logic Programs
gnn - TensorFlow GNN is a library to build Graph Neural Networks on the TensorFlow platform.
deepchem - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
awesome-drug-pair-scoring - Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
torchdrug - A powerful and flexible machine learning platform for drug discovery
GraphGPS - Recipe for a General, Powerful, Scalable Graph Transformer
GraphMixerNetworks - Official Implementation of Graph Mixer Networks
HybridTSPSolver - A hybrid TSP solver that I made for my master's degree thesis in computer science.
pytorch_geometric_temporal - PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)
OpenChem - OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
PDN - The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)