PaccMann training models
☆69Jun 17, 2024Updated 2 years ago
Alternatives and similar repositories for paccmann
Users that are interested in paccmann are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of the INtERAcT algorithm☆39Jul 6, 2023Updated 2 years ago
- PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction pre…☆53Feb 11, 2026Updated 4 months ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)☆14Apr 21, 2022Updated 4 years ago
- The Supplementary data in the paper "A Survey and Systematic Assessment of Computational Methods for Drug Response Prediction"☆12Sep 27, 2019Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Search public databases for given genotypic information☆12Mar 21, 2018Updated 8 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆16Mar 20, 2023Updated 3 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- Machine Learning predictions of cancer cell sensitivity to different drugs using data from CCLE (Cancer Cell Line Encyclopedia).☆15Feb 6, 2017Updated 9 years ago
- DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network☆12Mar 5, 2021Updated 5 years ago
- ☆20Sep 25, 2020Updated 5 years ago
- ☆10Aug 5, 2021Updated 4 years ago
- Drug Response Prediction and Biomarker Discovery Using Multi-Modal Deep Learning☆14Apr 24, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Code for pmVAE model, seen in ICML CompBio '21☆12Apr 12, 2024Updated 2 years ago
- ☆38Feb 14, 2022Updated 4 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- Longitudinal Mediation with Modified Treatment Policies☆12Sep 26, 2025Updated 8 months ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- interpret deep learning models in a framework-independent fashion☆41Sep 17, 2025Updated 9 months ago
- Challenge details, inputs, and results for the SAMPL7 series of challenges☆48Nov 2, 2021Updated 4 years ago
- Source code for "A novel methodology on distributed representations of proteins using their interacting ligands"☆27Feb 23, 2020Updated 6 years ago
- Interpreting graph convolutional filters of target prediction network☆48Mar 8, 2019Updated 7 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)☆14Jun 20, 2018Updated 7 years ago
- A GGNN-GWM based step-wise framework for Chemical Synthesis Prediction☆20Oct 1, 2019Updated 6 years ago
- ☆11Apr 19, 2019Updated 7 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- ☆17Mar 11, 2024Updated 2 years ago
- ☆19Jul 8, 2022Updated 3 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- Python code for "Bayesian hybrid matrix factorisation for data integration", published at 20th International Conference on Artificial Int…☆13Jun 10, 2018Updated 8 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- MOLI: Multi-Omics Late Integration with deep neural networks for drug response prediction☆54Sep 22, 2020Updated 5 years ago
- Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.☆12Sep 4, 2022Updated 3 years ago
- ☆25Sep 26, 2022Updated 3 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- ☆24Mar 11, 2023Updated 3 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆17Sep 17, 2020Updated 5 years ago