bioinf-jku / binet
Deep Learning package for Python
☆25Updated 6 years ago
Alternatives and similar repositories for binet:
Users that are interested in binet are comparing it to the libraries listed below
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Updated 8 years ago
- 🦅Hyperparameter optimization for machine learning pipelines 🦅☆74Updated 4 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆155Updated 7 years ago
- Bayesian Factorization with Side Information in C++ with Python wrapper☆41Updated 3 years ago
- Rectified Factor Networks☆38Updated 5 years ago
- Molecular AutoEncoder in PyTorch☆89Updated 4 years ago
- Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne☆34Updated 8 years ago
- ☆11Updated 6 years ago
- Python implementation of Markov Jump Hamiltonian Monte Carlo☆24Updated 8 years ago
- ☆67Updated last year
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Updated 6 years ago
- screenlamp is a Python toolkit for hypothesis-driven virtual screening☆22Updated 6 years ago
- Molecular dynamics trajectory analysis in Tensorflow☆36Updated 7 years ago
- Amino-Acid Sequence Annotation Predictor (ASAP)☆25Updated 4 years ago
- Modeling and Bayesian analysis of fluorescence and absorbance assays.☆18Updated 3 years ago
- Learn how to construct graphs given representative examples☆14Updated 3 years ago
- Bayesian hidden Markov models toolkit☆47Updated 4 years ago
- Automated omics-scale protein modeling and simulation setup.☆52Updated 3 years ago
- Pipeline for protein folding using PconsC and Rosetta☆18Updated 6 years ago
- NMF-mGPU web site:☆26Updated 9 years ago
- Conda build recipe for the rdkit☆51Updated 3 years ago
- scikit-learn addon to operate on set/"group"-based features☆41Updated 8 years ago
- ProFET: Protein Feature Engineering Toolkit for Machine Learning☆57Updated 9 years ago
- Run Nx2 Cross Validation for multiple binary classifiers in parallel with optional downsampling☆13Updated 10 years ago
- This repo contain the exercies of the Next.ML 2015 presentation☆24Updated 10 years ago
- Fastidious accounting of entropy streams into and out of optimization and sampling algorithms.☆32Updated 8 years ago
- Code and Data to accompany "Dilated Convolutions for Modeling Long-Distance Genomic Dependencies", presented at the ICML 2017 Workshop on…☆28Updated 7 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆19Updated 8 years ago
- ☆51Updated 7 years ago
- ugtm: a Python package for Generative Topographic Mapping☆50Updated 4 years ago