Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more
☆13Sep 11, 2024Updated last year
Alternatives and similar repositories for WIKI
Users that are interested in WIKI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A stripped-down set of just antechamber, sqm, and tleap.☆34Sep 20, 2021Updated 4 years ago
- Lightweight induced fit docking☆21May 22, 2023Updated 2 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Feb 20, 2026Updated last month
- Pre-clinical drug discovery faces the low efficiency dilemma. One of the reasons is the lack of cross-drug efficacy evaluation infrastruc…☆14Dec 8, 2025Updated 4 months ago
- LillyMol Public Code☆16Updated this week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 2 months ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated last year
- Scripts to do docking, single virtual screening, and etc.☆21Dec 19, 2023Updated 2 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- ☆12Jul 30, 2019Updated 6 years ago
- ☆13Mar 26, 2024Updated 2 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Molecular (Van der Waals) surface.☆19Oct 22, 2014Updated 11 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Apr 3, 2026Updated last week
- Schematics and diagrams that explain Artificial Intelligence☆14Dec 28, 2020Updated 5 years ago
- Tool to predict water molecules placement and energy in ligand binding sites☆35Sep 16, 2025Updated 6 months ago
- Server Usage Documentation of AIR☆23Feb 22, 2023Updated 3 years ago
- ☆10Mar 31, 2023Updated 3 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- Source code for the BUDE Alanine Scan web application.☆12May 27, 2025Updated 10 months ago
- Complete saturation mutagenesis of a protein using ESM☆16Feb 20, 2024Updated 2 years ago
- cp2k test☆10May 26, 2019Updated 6 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.
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆52Jul 4, 2024Updated last year
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 5 years ago
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆14Apr 1, 2026Updated last week
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 4 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 4 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab☆11Oct 16, 2022Updated 3 years ago
- SE(3) diffusion models for generating CDR loops☆10Feb 6, 2024Updated 2 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- Self-supervised Features Extraction for animal behavior discrimination☆26Jun 30, 2022Updated 3 years ago
- ☆11Oct 23, 2025Updated 5 months ago
- ☆20Aug 5, 2025Updated 8 months ago
- ☆10Mar 10, 2023Updated 3 years ago