Parse a SDF file and convert it to an array of objects
☆12Feb 19, 2026Updated last month
Alternatives and similar repositories for sdf-parser
Users that are interested in sdf-parser are comparing it to the libraries listed below
Sorting:
- Data files for the molecular modelling course☆13Jan 26, 2024Updated 2 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- Automatically exported from code.google.com/p/acpype☆12May 11, 2015Updated 10 years ago
- Source code of the ChEMBL web services.☆17Mar 13, 2019Updated 7 years ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20May 22, 2019Updated 6 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Jan 24, 2026Updated last month
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated last month
- Rust wrapper for the RDKit using CFFI☆16Updated this week
- Materials from the (virtual) 2020 RDKit UGM☆52Oct 26, 2020Updated 5 years ago
- Extended conductor-like polarizable continuum solvation model☆24Mar 13, 2025Updated last year
- ☆22Aug 18, 2020Updated 5 years ago
- ☆54Jan 17, 2026Updated 2 months ago
- ☆23May 19, 2022Updated 3 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 2 years ago
- Turtle graphics editor based on Microsoft MakeCode (aka PXT)☆17Apr 10, 2022Updated 3 years ago
- ☆38Aug 11, 2023Updated 2 years ago
- A browser-based visualization of chemistry papers, specifically morphology, material, and chemical data extracted from them. The UI was m…☆10Jun 21, 2022Updated 3 years ago
- A slim, non-SWIG Python adapter to CTesseract (Tesseract OCR for C).☆24Apr 25, 2014Updated 11 years ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Jan 7, 2026Updated 2 months ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- Fork form http://code.taobao.org/svn/duiengine/trunk☆14May 12, 2018Updated 7 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- A simple (and probably ropey) Python wrapper for the ChemSpider API☆16Mar 9, 2014Updated 12 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆16Feb 12, 2026Updated last month
- DockCADD An automated computational framework for molecular docking☆15Mar 9, 2025Updated last year
- ☆32Apr 18, 2025Updated 11 months ago
- a Firefox extension for reddit social news sites.☆17Apr 7, 2011Updated 14 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- i guess we'll find out.☆16Jul 5, 2023Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 3 years ago
- Web Interface for ChEMBL @ EMBL-EBI☆54Apr 22, 2022Updated 3 years ago
- A git-backed store for ipython notebooks☆13Apr 13, 2015Updated 10 years ago
- Hückel model + JAX☆13Oct 13, 2022Updated 3 years ago
- Lab policies, training, style guides, etc.☆35Dec 9, 2025Updated 3 months ago