deepchem
bidd-molmap
| deepchem | bidd-molmap | |
|---|---|---|
| 4 | 1 | |
| 5,124 | 134 | |
| 1.8% | - | |
| 9.9 | 4.2 | |
| 4 days ago | 29 days ago | |
| Python | Jupyter Notebook | |
| MIT License | GNU General Public License v3.0 or later |
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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.
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)?
bidd-molmap
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Researchers From Tsinghua University, The National University of Singapore Have Recently Developed An AI Tool Called ‘MolMapNet’ That Predicts Drugs Pharmaceutical Properties
Github: https://github.com/shenwanxiang/bidd-molmap
What are some alternatives?
torchdrug - A powerful and flexible machine learning platform for drug discovery
deep-learning-drizzle - Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!
deepqmc - Deep learning quantum Monte Carlo for electrons in real space
TensorFlow-Examples - TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)
OpenWorm - Repository for the main Dockerfile with the OpenWorm software stack and project-wide issues
DrugDiscovery-Tox21 - Drug discovery project by making use of the Tox-21 dataset.
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.
Wham - Structural variant detection and association testing
enrich_omics - A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)
libsequence - libsequence: a C++ class library for evolutionary genetic analysis