Machine learning for molecules workshop 2022
☆13Nov 30, 2022Updated 3 years ago
Alternatives and similar repositories for workshop2022
Users that are interested in workshop2022 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Encoding chemistry to interpret crystallographic data☆30Updated this week
- Dockerized version of the EBI Ontology Lookup Service☆10Aug 14, 2019Updated 6 years ago
- ☆15Mar 2, 2021Updated 5 years ago
- Hückel model + JAX☆14Oct 13, 2022Updated 3 years ago
- Position error bounds and sub-array processing for near-field☆15Oct 12, 2019Updated 6 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.
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Aug 28, 2023Updated 2 years ago
- Implementations of compression schemes for numeric data from mass spectrometers.☆13Mar 3, 2021Updated 5 years ago
- a Graph database and R package for omic data integration☆19Oct 28, 2016Updated 9 years ago
- 3D Localization with RIS lens and a single antenna☆20Oct 13, 2020Updated 5 years ago
- An Autonomous UAV Assisted Communication in Remote Disaster Area using Imitation Learning (Behavioral Cloning)☆21Apr 28, 2021Updated 5 years ago
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- sports_science_data☆13Nov 22, 2024Updated last year
- ☆12Mar 21, 2024Updated 2 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.
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- Differentiable FFT Conv Layer with Dense Color Channels☆11Apr 8, 2022Updated 4 years ago
- A toolbox for simulating and estimating long-term causal effects in the presence of unobserved confounding.☆14Feb 20, 2023Updated 3 years ago
- Codebase for Cormorant Neural Networks☆60May 11, 2022Updated 4 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- interacting Dynamic Electrons Approach☆31Apr 3, 2026Updated 4 months ago
- Metabolomics Tools for Galaxy☆22Nov 22, 2016Updated 9 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- CausalFX R Package☆13Jun 22, 2015Updated 11 years ago
- Causal machine learning pipeline using tlverse/sl3☆13Apr 17, 2026Updated 3 months ago
- ☆14Mar 3, 2025Updated last year
- Dirichlet-Multinomial Bayesian Variable Selection☆14Jun 13, 2024Updated 2 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 2 months ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Jul 15, 2024Updated 2 years ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- A repository containing the materials required to complete the "AAAI Lab for Innovative Uses of Synthetic Data". This includes tutorials …☆12Sep 4, 2024Updated last year
- Stanford CS 269Q: Quantum Computer Programming☆17May 4, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- A collection of common mz values found in mass spectrometry.☆21Jun 13, 2024Updated 2 years ago
- Contains code and content output for assignments for the Uppsala University Mathematical Modelling of Football course.☆14Nov 15, 2020Updated 5 years ago
- ☆13Apr 12, 2018Updated 8 years ago
- Repository for mzIdentML and the corresponding examples☆27May 6, 2026Updated 3 months ago
- The web server application and directly connected components for a MassBank web server☆19Dec 19, 2025Updated 7 months ago