☆13May 11, 2018Updated 7 years ago
Alternatives and similar repositories for geekcomputers
Users that are interested in geekcomputers are comparing it to the libraries listed below
Sorting:
- The source code for "MG-BERT: Multi-Graph Augmented BERT for Masked Language Modeling" paper (NAACL 2021, TextGraphs-15).☆12Jun 11, 2021Updated 4 years ago
- ☆12Apr 16, 2018Updated 7 years ago
- Mirror of bkchem from gitorious☆11Aug 18, 2022Updated 3 years ago
- Pre-processing Approaches for Imbalanced Distributions in Regression☆12Feb 21, 2021Updated 5 years ago
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆11Sep 10, 2025Updated 5 months ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 4 years ago
- A package for visualizing molecules.☆12Sep 29, 2019Updated 6 years ago
- Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolu…☆12May 26, 2021Updated 4 years ago
- ☆13Aug 5, 2025Updated 7 months ago
- ☆15Jul 24, 2024Updated last year
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- 算法第四版 python实现的示例和部分习题解答☆13Mar 6, 2022Updated 4 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Nov 12, 2021Updated 4 years ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Sep 13, 2022Updated 3 years ago
- Various scripts for quantum chemistry (mainly ORCA)☆15Feb 6, 2025Updated last year
- 3D molecular fingerprints (E3FP) paper repo☆14Mar 14, 2021Updated 4 years ago
- Source code of the ChEMBL web services.☆17Mar 13, 2019Updated 6 years ago
- mordred web interface☆16Dec 9, 2022Updated 3 years ago
- Statistical models to predict new materials☆14May 9, 2023Updated 2 years ago
- Python input file generators for Avogadro 2☆16Feb 27, 2026Updated last week
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13May 22, 2013Updated 12 years ago
- ☆14Jan 31, 2023Updated 3 years ago
- ☆14Dec 10, 2021Updated 4 years ago
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 6 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- ☆18Apr 30, 2021Updated 4 years ago
- Flask backend for the Pitt Quantum Repository website☆16Apr 16, 2023Updated 2 years ago
- htmlwidgets for chemdoodle web components☆18Apr 11, 2021Updated 4 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- Flask Dashboard - Azia Design (free version) | AppSeed☆13Dec 11, 2023Updated 2 years ago
- The Open Spectral Database - Its all about the data☆18Aug 7, 2024Updated last year
- Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020☆16Dec 26, 2021Updated 4 years ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- Python RS–232 interface for Harvard syringe pumps.☆20Feb 19, 2021Updated 5 years ago
- ☆17Feb 5, 2024Updated 2 years ago
- AI代码生成工具合集，包含国内外的多种不同工具，提升你的代码效率☆18Apr 14, 2023Updated 2 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆20Jan 27, 2026Updated last month
- Script to facilitate the making of horizontal scripts☆18May 25, 2024Updated last year