benstaf / deepchemLinks
Deep-learning models for Drug Discovery and Quantum Chemistry
☆16Updated 8 years ago
Alternatives and similar repositories for deepchem
Users that are interested in deepchem are comparing it to the libraries listed below
Sorting:
- Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.☆115Updated 2 years ago
- ☆61Updated 6 years ago
- A simple web GUI for DeepChem☆62Updated last year
- Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.☆117Updated 2 years ago
- machine learning, molecular descriptor☆118Updated 2 years ago
- The Databases for Drug Discovery (DDD)☆144Updated 6 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 5 years ago
- A collection of useful tutorials for Protein Science☆108Updated 10 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 5 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆114Updated last year
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆149Updated last year
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 8 years ago
- ☆31Updated 7 years ago
- Recurrent Geometric Network in Pytorch☆28Updated 5 years ago
- Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano☆49Updated 6 years ago
- Protein contacts prediction using deep learning models☆77Updated 6 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆143Updated last week
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- ☆143Updated 4 years ago
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- Facilitates searching, screening, and organizing large chemical databases☆169Updated last year
- Proof of the concept implementation of smiles2vec paper☆33Updated 6 years ago
- ☆28Updated 3 years ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- This repository has been integrated in https://github.com/DeepRank/deeprank2☆145Updated last year
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆16Updated last year