Data from the COVID Moonshot project
☆21Nov 9, 2023Updated 2 years ago
Alternatives and similar repositories for COVID_moonshot_submissions
Users that are interested in COVID_moonshot_submissions are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated 2 weeks ago
- Reinforcement learning environments for drug discovery☆19Aug 23, 2024Updated last year
- ☆17Apr 18, 2024Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆49Jul 16, 2026Updated 2 weeks ago
- Repository for the SCS Spring School on Digital Chemistry☆21Apr 24, 2023Updated 3 years ago
- CReM: chemically reasonable mutations framework☆279Jul 9, 2026Updated 3 weeks ago
- ☆13Nov 29, 2024Updated last year
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- ☆12Jun 14, 2022Updated 4 years ago
- Scoring of shape and ESP similarity with RDKit☆236Aug 19, 2025Updated 11 months ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- Cloud-based Drug Binding Structure Prediction☆48Jul 13, 2026Updated 2 weeks ago
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated last year
- A collection of IPython Notebooks on chemoinformatics☆13Mar 29, 2016Updated 10 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.
- ☆12Jul 30, 2019Updated 7 years ago
- ☆20Feb 6, 2017Updated 9 years ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆40Aug 14, 2023Updated 2 years ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…☆15May 16, 2025Updated last year
- Interactive Python notebooks for PDBe API training☆62Jun 22, 2026Updated last month
- Scripts and input files associated with docking and free energy calculations for the COVID Moonshot☆59Feb 19, 2023Updated 3 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Mar 17, 2024Updated 2 years ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Oct 1, 2020Updated 5 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- Structure-informed machine learning for kinase modeling☆60Updated this week
- ☆41Feb 28, 2022Updated 4 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago