Python package aimed at automatic identification of electron and hole transfer pathways in proteins.
☆14Feb 17, 2026Updated 8 months ago
Alternatives and similar repositories for pyemap
Users that are interested in pyemap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Jun 3, 2019Updated 7 years ago
- ☆14Mar 28, 2025Updated last year
- Differentiable Bloch wave simulations for electron diffraction refinement☆29Updated this week
- For European Agentic AI Bootcamp July 2026☆19Jul 22, 2026Updated 3 months ago
- ☆16Mar 18, 2026Updated 7 months 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.
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 5 years ago
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- Random Code and Snippets☆11Jan 25, 2021Updated 5 years ago
- ESP32 firmware for Wander Navi outdoor navigation device☆21Oct 31, 2026Updated last week
- Protein-ligand binding sites prediction toolkits☆22Jan 2, 2019Updated 7 years ago
- ☆19Nov 13, 2021Updated 4 years ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆58Mar 9, 2023Updated 3 years ago
- Python wrappers for the FirecREST API☆12Updated this week
- An open source program for the description of metastable electronic states in molecules.☆25Oct 20, 2026Updated 2 weeks 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.
- http://guyrt.github.io/2015-06-21-s2i2/☆30Jun 23, 2015Updated 11 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated 2 years ago
- Open-source DUck (Dynamic Undocking)☆13Dec 5, 2025Updated 11 months ago
- High-level analysis package for (bio-)informatics☆11Feb 27, 2024Updated 2 years ago
- A Python Octopus Energy API Client☆15Jul 28, 2026Updated 3 months ago
- A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)☆21Jun 4, 2026Updated 5 months ago
- Generation of a Large-scale Polymer Library Using Rule-Based Polymerization Reactions for Polymer Informatics.☆11Apr 4, 2025Updated last year
- ☆58Jan 15, 2026Updated 9 months ago
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.☆11Apr 26, 2026Updated 6 months ago
- Common molecule fragments for visualization in Avogadro☆17Oct 23, 2026Updated 2 weeks ago
- Generating dynamic structures through physics-based sampling of trRosettaX2-predicted inter-residue geometries☆11Mar 17, 2026Updated 7 months ago
- Building collagen fibrils from amino acids sequences☆13Oct 1, 2026Updated last month
- ☆15Dec 17, 2025Updated 10 months ago
- ☆16Apr 8, 2019Updated 7 years ago
- For CoLab course☆16Aug 30, 2021Updated 5 years ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆27Apr 28, 2026Updated 6 months ago
- A conda-smithy repository for ambertools.☆13Jul 15, 2026Updated 3 months 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 library that enables code interoperability via the MolSSI Driver Interface.☆36Oct 19, 2026Updated 2 weeks ago
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆16Oct 21, 2015Updated 11 years ago
- Testing module for Galaxy workflows☆10Jul 31, 2018Updated 8 years ago
- ☆13Jul 7, 2025Updated last year
- Machine Translation using FLEx, Apertium, and STAMP☆11Updated this week
- A native, file-first Markdown editor for macOS☆35Oct 15, 2026Updated 3 weeks ago
- Performed Exploratory Data Analysis(EDA) on the global COVID-19 dataset. Used Geopython to get a worldwide view of COVID-19 cases.☆13Aug 27, 2020Updated 6 years ago