TLDRs for ML in Drug Discovery papers
☆72Mar 5, 2023Updated 3 years ago
Alternatives and similar repositories for ml-drug-discovery-tldrs
Users that are interested in ml-drug-discovery-tldrs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This python library is used for performing requests concurrent and maximising api limits in terms of amount of concurrency limits and req…☆16Apr 29, 2024Updated last year
- A collection of QM data for training potential functions☆193Feb 25, 2026Updated last month
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- CASP15 performance benchmarking of the state-of-the-art protein structure prediction methods☆13Dec 13, 2023Updated 2 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 4 years ago
- ☆32Oct 19, 2023Updated 2 years ago
- Extracting medicinal chemistry intuition via preference machine learning☆118Oct 31, 2023Updated 2 years ago
- The Polaris datasets and benchmarks recipes☆13May 26, 2025Updated 10 months ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆23Aug 8, 2024Updated last year
- Slides for the RSS International Conference 2023 workshop on data visualisation.☆10Aug 11, 2024Updated last year
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Jul 13, 2023Updated 2 years ago
- Adding hydrogens to molecular models☆61Nov 24, 2025Updated 4 months ago
- ☆12Nov 22, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Implementation of methods to sample from Boltzmann distributions☆21Jan 24, 2023Updated 3 years ago
- orbital MCMC☆10Jun 17, 2021Updated 4 years ago
- Hückel model + JAX☆13Oct 13, 2022Updated 3 years ago
- few-shot compound activity regression☆13Aug 19, 2024Updated last year
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- Classifier of pathogenic non-coding variants in Mendelian diseases☆11Feb 6, 2020Updated 6 years ago
- Python implementation for Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces.☆13Nov 30, 2021Updated 4 years ago
- bioinformatics tools running on modal☆144Feb 18, 2026Updated last month
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆27Nov 17, 2025Updated 4 months ago
- D. E. Shaw Research Technical Reports☆13Jul 4, 2022Updated 3 years ago
- Molecular Out-Of-Distribution☆39Apr 16, 2025Updated 11 months ago
- Semi-continuous deployment of my PhD dissertation☆12Feb 13, 2025Updated last year
- Another Molecular String Representation☆10Updated this week
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Feb 25, 2026Updated last month
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆30Feb 24, 2025Updated last year
- A series of templates for a Quarto project to convert a single Markdown input into beautiful and simple Word, HTML, and PDF worksheets.☆14Feb 12, 2022Updated 4 years ago
- Very simple and short implementation of gradient boosting in 18 lines of code☆10Sep 17, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16Updated this week
- ☆54Updated this week
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆105Jul 30, 2024Updated last year
- molfeat - the hub for all your molecular featurizers☆224May 27, 2025Updated 10 months ago
- ☆11Oct 15, 2023Updated 2 years ago
- Adapting protein language models for structure-conditioned design☆42Aug 5, 2024Updated last year
- implementation of Franck Farris recipes to produce wallpaper patterns☆10Mar 26, 2024Updated 2 years ago