Shen-Lab / gcWGAN
Guided Conditional Wasserstein GAN for De Novo Protein Design
☆37Updated 4 years ago
Alternatives and similar repositories for gcWGAN:
Users that are interested in gcWGAN are comparing it to the libraries listed below
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆50Updated 2 weeks ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- ☆38Updated 4 years ago
- ☆37Updated 4 years ago
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆24Updated last year
- ☆29Updated 4 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15Updated 6 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆40Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- ☆70Updated 2 years ago
- ☆30Updated 8 months ago
- ☆37Updated 4 years ago
- Code for "A Deep Learning Framework for Flexible Docking and Design"☆16Updated 2 years ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆32Updated 3 years ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 3 years ago
- DLPacker☆30Updated 6 months ago
- Protein quality assessment using Graph Convolutional Networks☆28Updated 2 years ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆25Updated last year
- ☆20Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- dMaSIF implementation for google colab☆31Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆36Updated 2 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆49Updated 2 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Docking Tool Benchmarking Workflow☆21Updated 8 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆61Updated 2 weeks ago
- Docking benchmark 5 - cleaned and ready to use for HADDOCK☆12Updated 2 years ago