cansyl / DEEPScreen
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
☆109Updated 6 months ago
Alternatives and similar repositories for DEEPScreen:
Users that are interested in DEEPScreen are comparing it to the libraries listed below
- Protein-compound affinity prediction through unified RNN-CNN☆139Updated 6 months ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆119Updated 4 months ago
- Speed virtual screening by 50X☆90Updated last year
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆187Updated last year
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆140Updated 7 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆159Updated last year
- Modelling the Language of Life - Deep Learning Protein Sequences☆72Updated 4 years ago
- ☆119Updated last year
- Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.☆156Updated 2 years ago
- BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluatio…☆169Updated 5 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆111Updated last year
- Multi-task and masked language model-based protein sequence embedding models.☆99Updated 3 years ago
- Paratope Prediction using Deep Learning☆59Updated last year
- Peptide optimization with Machine Learning☆71Updated 2 years ago
- machine learning, molecular descriptor☆112Updated last year
- trRosetta for protein design☆177Updated 3 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 4 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆274Updated 2 weeks ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆71Updated 9 months ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆98Updated 2 years ago
- AbLang: A language model for antibodies☆134Updated last year
- Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.☆72Updated last year
- Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer☆147Updated last year
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆102Updated 3 years ago
- RXN for biochemical reactions☆65Updated 2 years ago
- Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.☆156Updated 5 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆263Updated last year
- Python for chemoinformatics☆109Updated 4 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆71Updated last year
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆167Updated 3 years ago