Schrodinger-developed 2D Coordinate Generation
☆50Jan 15, 2026Updated 6 months ago
Alternatives and similar repositories for coordgenlibs
Users that are interested in coordgenlibs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- maestro file parser☆29Mar 10, 2026Updated 5 months ago
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago
- ☆14May 9, 2018Updated 8 years ago
- A C++ library for molecular modelling, cheminformatics and molecular visualization.☆55Jun 21, 2022Updated 4 years ago
- 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.
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆31Jul 19, 2019Updated 7 years ago
- ☆13Aug 5, 2025Updated last year
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- psi4+RDKit☆107May 13, 2025Updated last year
- Universal cheminformatics toolkit, utilities and database search tools☆403Updated this week
- RDKitMinimalLib wrapper for the Julia programming language☆26Jan 27, 2026Updated 6 months 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.
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- ☆122Jan 20, 2021Updated 5 years ago
- Similarity pruning engine for conformational ensembles☆23Apr 28, 2026Updated 3 months ago
- 3D molecular structure generation for MD simulation☆10May 7, 2026Updated 3 months ago
- ☆14Oct 16, 2022Updated 3 years ago
- The core part of Atomic Charge Calculator III.☆30Apr 30, 2026Updated 3 months ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- 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.
- python code for the JUAMI potentiostat☆12Jun 21, 2026Updated last month
- Perception and labelling of stereogenic centres in chemical structures☆21Updated this week
- Library for reading and writing chemistry files☆202Jun 19, 2026Updated last month
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- Non-sequential structural alignment program for protein structure☆19Apr 10, 2026Updated 4 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 years ago
- Interactive plotting of millions of data points☆10Mar 31, 2022Updated 4 years ago
- A Cuda/Thrust implementation of fingerprint similarity searching☆113Jan 24, 2024Updated 2 years ago
- Utilities to programmatically query the PubChem database☆28Jun 26, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆48Jun 1, 2020Updated 6 years ago
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 5 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- Molecular Dynamics in the Open☆90Updated this week
- Graph-based molecule modeling toolkit for cheminformatics☆225Jun 3, 2026Updated 2 months ago