insilicomedicine / BiAAE
Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
☆53Updated 4 years ago
Alternatives and similar repositories for BiAAE:
Users that are interested in BiAAE are comparing it to the libraries listed below
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- Molecular vectorization and batch generation☆51Updated 4 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆52Updated last year
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆161Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆143Updated 8 months ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆62Updated 3 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆80Updated 4 years ago
- ☆96Updated 4 years ago
- ☆68Updated 2 years ago
- An experimental repo for experimenting with PyTorch models☆35Updated 2 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆71Updated 11 months ago
- An implementation of the Latent Gan as discribed in the publication [cite]☆61Updated 4 years ago
- Baselines models for GuacaMol benchmarks☆137Updated last year
- ☆31Updated 6 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆68Updated 3 years ago
- ☆62Updated 5 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆189Updated 2 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆77Updated last year
- Fréchet ChemNet Distance on PyTorch☆47Updated 6 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- ☆81Updated last year
- Moleculenet.ai Datasets And Splits☆98Updated 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
- Mol-CycleGAN - a generative model for molecular optimization☆75Updated 6 years ago
- ☆37Updated 4 years ago
- machine learning, molecular descriptor☆112Updated last year
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆79Updated 3 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago
- Fréchet ChemNet Distance: A quality measure for generative models for molecules☆76Updated last year