maestro file parser
☆28Mar 10, 2026Updated 2 months ago
Alternatives and similar repositories for maeparser
Users that are interested in maeparser are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Schrodinger-developed 2D Coordinate Generation☆49Jan 15, 2026Updated 4 months ago
- Perception and labelling of stereogenic centres in chemical structures☆20Apr 13, 2026Updated last month
- The pure C++ implementation of the MMTF API, decoder and encoder.☆22Nov 14, 2023Updated 2 years ago
- Times Square Sampling☆13Feb 24, 2023Updated 3 years ago
- Some collected tools for molecular simulation pipelines☆44Aug 18, 2018Updated 7 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Name Reaction Ontology☆49Jan 26, 2026Updated 3 months ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆24Dec 15, 2025Updated 5 months ago
- Computes a molecular graph for protein structures.☆59May 11, 2026Updated last week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆355Mar 21, 2026Updated 2 months ago
- Extensions to the Waf build system☆19Apr 10, 2026Updated last month
- This repo is outdated. Please use https://github.com/pylelab/USalign instead☆18May 26, 2021Updated 4 years ago
- Benchmark set for relative free energy calculations.☆120May 22, 2024Updated 2 years ago
- Pymol ScrIpt COllection (PSICO)☆65Mar 13, 2026Updated 2 months ago
- The public versio☆98Jun 26, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- WebGL engine for (big) data visualization.☆30Oct 26, 2023Updated 2 years 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
- Extended XYZ specification and parsers☆26Apr 30, 2026Updated 3 weeks ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆24Nov 6, 2025Updated 6 months ago
- NSU bioinformatics Python course☆13Sep 24, 2024Updated last year
- Visual Interactive Analysis of Molecular Dynamics☆320May 15, 2026Updated last week
- 3D molecular fingerprints☆142Feb 4, 2025Updated last year
- nimble aligner that will map your reads to the references on a laptop☆11Jun 29, 2017Updated 8 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆44Apr 5, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Schrödinger Sketcher☆35May 15, 2026Updated last week
- Disordered protein ensemble prediction☆14Apr 2, 2026Updated last month
- A simple numpad PCB☆11May 27, 2019Updated 6 years ago
- Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.☆73Feb 1, 2024Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆61May 16, 2026Updated last week
- MolSurfComp is a Matlab package for molecular surface computation, in particular, for the solvent excluded surface (SES). It allows to co…☆10Feb 1, 2021Updated 5 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆43Jan 29, 2026Updated 3 months ago
- Trusted force field files for gromacs☆70Oct 31, 2024Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆47Jan 27, 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.
- Protein interaction calculator☆13Feb 11, 2025Updated last year
- Materials from the 2016 RDKit UGM☆41Jan 9, 2017Updated 9 years ago
- Python rich client for visual protein Sequence to Structure Analysis☆20Mar 31, 2026Updated last month
- Quantum to Molecular Mechanics (Q2MM)☆25May 8, 2026Updated 2 weeks ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- An efficient method for the conversion from internal to Cartesian coordinates that utilizes the platform-agnostic JAX Python library.☆21Jun 12, 2024Updated last year
- Auto3D generates low-energy conformers from SMILES/SDF☆192Jan 22, 2026Updated 4 months ago