Quantum-mechanical molecular representations
☆29Jan 27, 2026Updated 4 months ago
Alternatives and similar repositories for QUED
Users that are interested in QUED are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆26May 20, 2026Updated last week
- ☆13Jan 5, 2026Updated 4 months ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Apr 15, 2026Updated last month
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- ☆12Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Photonic and metamaterials calculations☆13May 8, 2026Updated 3 weeks ago
- Code repository for the paper "Towards a Comprehensive Evaluation of Dimension Reduction Methods for Data Visualization"☆13Jul 4, 2024Updated last year
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 6 months ago
- A Python tool for creating and downsampling chemical pointclouds.☆13Apr 18, 2025Updated last year
- Machine learning workflows for the OpenADMET project☆52Updated this week
- Code for running BinderFlow☆66Nov 21, 2025Updated 6 months ago
- My solutions to DataCamp Projects (https://www.datacamp.com/projects)☆13Oct 6, 2020Updated 5 years ago
- Experiments for the method comparison paper.☆39Oct 3, 2025Updated 7 months ago
- Course page for comp790-166 computational biology in spring 2022☆11Apr 25, 2022Updated 4 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.
- Tokenizing Loops of Antibodies☆34Nov 23, 2025Updated 6 months ago
- generate and parse url search parameters with zod objects☆11Feb 24, 2025Updated last year
- CortexMAE fMRI foundation model☆44Updated this week
- ☆10Feb 25, 2021Updated 5 years ago
- Datacamp data science certification exam lab☆10Nov 15, 2023Updated 2 years ago
- ☆107May 7, 2026Updated 3 weeks ago
- ☆15Jan 21, 2025Updated last year
- A lightweight, single header OpenGL engine.☆15Sep 6, 2025Updated 8 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 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.
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated last year
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆14Jan 1, 2025Updated last year
- A pipeline for Bacterial Whole genome sequence data analysis☆15Jul 24, 2022Updated 3 years ago
- PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.☆25Jul 13, 2025Updated 10 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆22Mar 26, 2024Updated 2 years ago
- Whatsapp status downloader, Chrome Extension to download status media (video/image) with just one click!!☆13Jan 10, 2025Updated last year
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆119Updated this week
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 4 months ago
- Useful and handy Jupyter Notebooks for Analysis☆21Oct 1, 2020Updated 5 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.
- Modular deep learning framework for chemical reactions☆69May 12, 2026Updated 2 weeks ago
- Convert RDF to Semantic MediaWiki facts in MediaWiki XML format, with a standalone commandline tool☆20Mar 28, 2025Updated last year
- ☆20Dec 15, 2025Updated 5 months ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆17Jun 19, 2021Updated 4 years ago
- ☆24May 16, 2026Updated last week
- ☆27Feb 23, 2026Updated 3 months ago
- AI Based mock interviews for preparing for tech jobs☆77Apr 8, 2026Updated last month