libRL
deepchem
libRL | deepchem | |
---|---|---|
1 | 4 | |
3 | 5,153 | |
- | 2.3% | |
2.3 | 9.9 | |
about 1 year ago | 9 days ago | |
Python | Python | |
GNU General Public License v3.0 only | MIT License |
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libRL
deepchem
-
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?
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
torchdrug - A powerful and flexible machine learning platform for drug discovery
chemprop - Message Passing Neural Networks for Molecule Property Prediction
deepqmc - Deep learning quantum Monte Carlo for electrons in real space
Numba - NumPy aware dynamic Python compiler using LLVM
bidd-molmap - MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
pyjulia - python interface to julia
OpenWorm - Repository for the main Dockerfile with the OpenWorm software stack and project-wide issues
PyCall.jl - Package to call Python functions from the Julia language
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.