chemicalx
Drug pairing model
A deep learning library for predicting the effects of combining two drugs
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
714 stars
22 watching
88 forks
Language: Python
last commit: about 1 year ago
Linked from 3 awesome lists
biologychemistrydeep-chemistrydeep-learningdrugdrug-discoverydrug-interactiondrug-pairgeometric-deep-learninggeometrygraph-neural-networkmachine-learningpharmapolypharmacypytorchsmilessmiles-stringstorchtorchdrug
Related projects:
Repository | Description | Stars |
---|---|---|
zjulearning/graph_level_drug_discovery | A Python project that uses machine learning to improve the representation of molecules in drug discovery | 60 |
bjoux2/deepdtis_dbn | A Python framework for deep learning-based drug-target interaction prediction using a DBN architecture. | 48 |
mhlee0903/multi_channels_pinn | Investigating neural networks for drug discovery using multiple chemical descriptors. | 3 |
dmarnerides/pydlt | A PyTorch-based toolbox for building and training deep learning models with ease. | 204 |
kaixhin/grokking-pytorch | An introduction to using PyTorch for deep learning tasks | 1,194 |
kexinhuang12345/deeppurpose | A toolkit for molecular modeling and prediction tasks using deep learning | 974 |
aiqm/torchani | A PyTorch implementation of a neural network potential for molecular simulations | 464 |
l0sg/relational-rnn-pytorch | An implementation of DeepMind's Relational Recurrent Neural Networks (Santoro et al. 2018) in PyTorch for word language modeling | 244 |
mrgemy95/visual-interaction-networks-pytorch | An implementation of Deepmind's Visual Interaction Networks using PyTorch to predict future events in physical scenes. | 166 |
mariewelt/openchem | A deep learning toolkit for computational chemistry and drug design research | 680 |
4uiiurz1/pytorch-res2net | Implementations of deep learning architectures using PyTorch for image classification tasks on various datasets. | 112 |
zhanghang1989/pytorch-encoding | A Python framework for building deep learning models with optimized encoding layers and batch normalization. | 2,041 |
simonfqy/padme | A deep learning-based framework for predicting drug-target interaction from protein descriptors | 42 |
shaharharel/cdn_molecule | Automates molecule design and drug discovery using machine learning models | 13 |
lifanchen-simm/transformercpi | Develops a deep learning model to predict compound-protein interactions by leveraging sequence-based learning and self-attention mechanisms | 134 |