BKChem, a molecular drawing and chemical editor (sketching) software: now ported to Python 3
☆211Apr 23, 2026Updated 6 months ago
Alternatives and similar repositories for BKChem_python_3
Users that are interested in BKChem_python_3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PyChem-Pro: 100% Python API, fast, flexible & programmable molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics l…☆401Oct 18, 2026Updated 2 weeks ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 6 months ago
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- ☆32Oct 20, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Store your chemical data in a single file!☆13May 7, 2025Updated last year
- Constava analyzes conformational ensembles calculating conformational state propensities and conformational state variability.☆11Mar 16, 2026Updated 7 months ago
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated last year
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- A lightweight script to make vector images of molecules☆19Oct 17, 2025Updated last year
- gpu implementation mopac☆16Updated this week
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆18Aug 1, 2026Updated 3 months ago
- A fast C++ CIF and mmCIF parser☆11Jul 24, 2026Updated 3 months ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Interface enabling use of ANI-style, and other NN-IPs in the Amber molecular dynamics software suite. Works with both Amber engines, sand…☆18Updated this week
- Tutorial Files☆14Sep 13, 2025Updated last year
- Lightweight Python toolkit for molecular structure analysis, visualisation, descriptors, graph export, and coarse-graining.☆14Jun 10, 2026Updated 4 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆62Updated this week
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆65Nov 12, 2025Updated 11 months ago
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆25Mar 25, 2026Updated 7 months ago
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆186Jul 8, 2026Updated 3 months ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆14Sep 4, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated 2 years ago
- Scikit-learn compatible library for molecular fingerprints and chemoinformatics☆401Oct 26, 2026Updated last week
- View chemicals as graphs and perform operations on graphs for predictive chemistry☆30Jan 4, 2026Updated 9 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 3 months ago
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- ☆15May 17, 2024Updated 2 years ago
- PyTorch operations for use in creating machine learning interatomic potentials☆22Sep 15, 2026Updated last month
- MCP server that enables language models to interact with RDKit through natural language☆46May 4, 2026Updated 5 months ago
- ☆15Jul 24, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Nextflow pipeline to do protein design tasks at the end of 2025.☆12Oct 26, 2026Updated last week
- Quick Reaction Coordinate: normal mode displacement of transition structures☆45Sep 27, 2026Updated last month
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated 3 weeks ago
- Simple RDKit molecule editor GUI using PySide☆181May 3, 2026Updated 5 months ago
- ☆20Feb 27, 2026Updated 8 months ago
- ☆20Aug 15, 2026Updated 2 months ago
- IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation☆11Jul 3, 2025Updated last year