cansyl / DEEPScreenLinks
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
☆113Updated last year
Alternatives and similar repositories for DEEPScreen
Users that are interested in DEEPScreen are comparing it to the libraries listed below
Sorting:
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆142Updated 4 months ago
- Speed virtual screening by 50X☆95Updated 2 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆149Updated last year
- Graph Network for protein-protein interface☆120Updated last year
- Paratope Prediction using Deep Learning☆60Updated 2 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆186Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆105Updated 2 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow☆18Updated 7 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆166Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆130Updated 2 months ago
- ThermoNet is a computational method for quantitative prediction of the impact of single-point mutations on protein thermodynamic stabilit…☆117Updated last year
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆103Updated 4 years ago
- Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.☆76Updated 2 years ago
- ☆45Updated 3 years ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated 2 years ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- A Python 3 version of the protein descriptor package propy☆44Updated 2 years ago
- Repository for publicly available deep learning models developed in Rosetta community☆118Updated 3 years ago
- open source repository☆139Updated last year
- A Python package for extracting protein sequence features☆59Updated 3 years ago
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆37Updated 2 years ago
- ☆71Updated 4 years ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆69Updated 5 months ago
- Convenience Python APIs for antibody numbering using ANARCI☆105Updated 3 months ago
- AbLang: A language model for antibodies☆146Updated last year