insilicomedicine / BiAAELinks
Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
☆53Updated 5 years ago
Alternatives and similar repositories for BiAAE
Users that are interested in BiAAE are comparing it to the libraries listed below
Sorting:
- MoleculeNet benchmark dataset & MolMapNet dataset☆64Updated 3 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆31Updated 7 years ago
- ☆97Updated 5 years ago
- ☆63Updated 6 years ago
- A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)☆64Updated 3 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- Paratope Prediction using Deep Learning☆59Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆98Updated 4 years ago
- ☆81Updated last year
- ☆67Updated 3 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆36Updated 2 years ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆82Updated 3 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆141Updated 2 months ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆72Updated last year
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated 2 years ago
- ☆28Updated 2 years ago
- Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6☆33Updated 3 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- PyTorch library of layers acting on protein representations☆119Updated last year
- An implementation of the Latent Gan as discribed in the publication [cite]☆63Updated 4 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated 11 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆165Updated 2 years ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆74Updated 2 years ago
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆32Updated 3 years ago
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 7 years ago
- ☆136Updated 4 years ago