ChemMine Tools: open source web framework for small molecule analysis
☆41Dec 8, 2022Updated 3 years ago
Alternatives and similar repositories for chemminetools
Users that are interested in chemminetools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Cheminformatics Toolkit for R☆17Mar 12, 2026Updated last month
- htmlwidgets for chemdoodle web components☆18Apr 11, 2021Updated 5 years ago
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- ☆20Sep 24, 2016Updated 9 years ago
- Ideas for chemical similarity searches in MongoDB.☆28Feb 8, 2015Updated 11 years 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.
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆135Mar 8, 2024Updated 2 years ago
- Python wrapper for the ChemSpider API☆118Sep 9, 2018Updated 7 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 7 months ago
- A Comprehensive Topological Complexity Indicator for Small Molecules☆18Sep 14, 2024Updated last year
- ☆16Jul 7, 2024Updated last year
- Cookiecutter Namespace Template for a Python package.☆12Apr 12, 2026Updated 2 weeks ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR☆16Feb 25, 2026Updated 2 months ago
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- Ketcher: web-based chemical sketcher☆59Sep 17, 2014Updated 11 years ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- The Detectron 2 MaskRCNN implementation for the PanNuke Dataset (https://jgamper.github.io/PanNukeDataset/).☆14Jun 25, 2021Updated 4 years ago
- The C. elegans transcriptome at single cell resolution☆11Mar 28, 2018Updated 8 years ago
- Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structu…☆28Nov 6, 2019Updated 6 years ago
- ☆55Dec 12, 2025Updated 4 months ago
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 5 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.
- A one-stop-shop for handling data in computational spectroscopy☆18Jan 26, 2026Updated 3 months ago
- Hands-on repository for fine-tuning Large Language Models (LLMs) in the clinical domain with tutorials☆16Jan 9, 2026Updated 3 months ago
- PDBe Programming Interfaces information☆14Jul 23, 2018Updated 7 years ago
- ☆12Jan 12, 2015Updated 11 years ago
- An R package to call oomycete effectors☆11Aug 31, 2023Updated 2 years ago
- Source code of the ChEMBL web services.☆17Mar 13, 2019Updated 7 years ago
- GUI for 2D XANES fitting☆19Apr 23, 2026Updated last week
- A lightweight, 3D molecular viewer for JavaScript and PureScript applications.☆21Mar 5, 2023Updated 3 years ago
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 6 months ago
- JBEI Quantitative Metabolic Modeling library☆13Feb 7, 2020Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated last week
- 📦 A Command Line Tool for downloading protein structures, sequences and MSAs☆10Nov 21, 2017Updated 8 years ago
- Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU☆17Nov 19, 2024Updated last year
- ☆13Sep 8, 2021Updated 4 years ago
- Cheminformatics formulae for the Homebrew package manager☆20Mar 30, 2018Updated 8 years ago