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deepchem
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| Wham | deepchem | |
|---|---|---|
| - | 4 | |
| 98 | 5,102 | |
| - | 3.2% | |
| 0.0 | 9.9 | |
| about 1 year ago | 3 days ago | |
| C++ | Python | |
| GNU General Public License v3.0 or later | MIT License |
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deepchem
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Query
You can see a number of splitter implementations from the DeepChem package here. The code is quite elaborate but for your case it may not need to be. Still, if you can use their package for splitting that would be easiest.
- Deepchem – Democratizing Deep-Learning for Drug Discovery
- Deepchem dataset load_tox21()
- How do I transition into bioinformatics from a senior software engineer (14 years of experience)?
What are some alternatives?
libsequence - libsequence: a C++ class library for evolutionary genetic analysis
torchdrug - A powerful and flexible machine learning platform for drug discovery
SeqAn - SeqAn's official repository.
deepqmc - Deep learning quantum Monte Carlo for electrons in real space
Vcflib - C++ library and cmdline tools for parsing and manipulating VCF files with python and zig bindings
bidd-molmap - MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
OpenWorm - Repository for the main Dockerfile with the OpenWorm software stack and project-wide issues
chemicalx - A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
pytorch_tempest - My repo for training neural nets using pytorch-lightning and hydra
caer - High-performance Vision library in Python. Scale your research, not boilerplate.
enrich_omics - A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)