PaccMann / paccmann_datasets
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
☆27Updated last month
Related projects ⓘ
Alternatives and complementary repositories for paccmann_datasets
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated 6 months ago
- Learning with uncertainty for biological discovery and design☆33Updated last year
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆35Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆99Updated last year
- Open source code for AlphaFold to extract protein embeddings☆25Updated 3 years ago
- Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies☆80Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆156Updated last year
- open source repository☆124Updated 11 months ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆52Updated 4 years ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆62Updated 2 years ago
- RXN for biochemical reactions☆64Updated 2 years ago
- Paratope Prediction using Deep Learning☆59Updated last year
- PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction pre…☆46Updated 5 months ago
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆54Updated 3 years ago
- Database of Interacting Protein Structures (DIPS)☆95Updated 9 months ago
- ☆104Updated 2 years ago
- PaccMann models for protein language modeling☆40Updated 3 years ago
- ☆35Updated 2 weeks ago
- Code for Fold2Seq paper from ICML 2021☆49Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Protein design and variant prediction using autoregressive generative models☆92Updated 9 months ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 3 years ago
- Peptide optimization with Machine Learning☆69Updated last year
- Protein design and variant prediction using autoregressive generative models☆22Updated last year
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆46Updated last year
- MoleculeNet benchmark dataset & MolMapNet dataset☆60Updated 2 years ago
- dMaSIF implementation for google colab☆29Updated last year
- A Python package for extracting protein sequence features☆58Updated 2 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆109Updated 3 months ago