☆63Aug 2, 2024Updated last year
Alternatives and similar repositories for MELLODDY-TUNER
Users that are interested in MELLODDY-TUNER are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fast and accurate machine learning models for biochemical applications.☆62Oct 22, 2024Updated last year
- ☆12May 12, 2023Updated 3 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- Basic material and content to give a quick overview of Substra Foundation☆36May 14, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- Materials from the 2022 UGM☆46Oct 31, 2022Updated 3 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- ☆21May 28, 2025Updated 11 months ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Sep 7, 2020Updated 5 years ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 6 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆59Mar 16, 2023Updated 3 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Dec 30, 2018Updated 7 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- ☆23Dec 17, 2025Updated 5 months ago
- ☆10Sep 25, 2019Updated 6 years ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- ☆12Oct 21, 2018Updated 7 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- substructure search in large combinatorial spaces using openchemlib☆23Mar 6, 2026Updated 2 months ago
- ☆18Dec 5, 2024Updated last year
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆82Apr 13, 2021Updated 5 years ago
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30May 13, 2026Updated last week
- Materials from the (virtual) 2020 RDKit UGM☆52Oct 26, 2020Updated 5 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 5 years ago
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆10Dec 20, 2023Updated 2 years ago
- Predicting PROTAC protein degradation activity via machine learning.☆16Sep 17, 2025Updated 8 months ago
- ☆12May 9, 2026Updated last week
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 2 years ago
- ☆19Jul 8, 2022Updated 3 years ago
- IUPAC SMILES+ Specification☆42Dec 12, 2023Updated 2 years ago