GitHub for AI4PD 2023 Workshop in Chile
☆12Oct 12, 2023Updated 3 years ago
Alternatives and similar repositories for AI4PD_2023
Users that are interested in AI4PD_2023 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 series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2☆12Aug 28, 2023Updated 3 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- The public repository for the Core library of the Masala software suite. Masala is a set of free and open-source tools for biomolecular …☆10Oct 7, 2026Updated 3 weeks ago
- AlphaFold2 and RoseTTAFold predictions of the SARS-CoV-2 B.1.1.529 variant Spike protein with HADDOCK antibody interactions☆12Feb 10, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆12Apr 9, 2024Updated 2 years ago
- ☆12Aug 26, 2023Updated 3 years ago
- pymol scripts☆14Jan 27, 2021Updated 5 years ago
- A basic Lammps tutorial using aristotle.rc.ucl.ac.uk and desktop@anywhere (for visualisation)☆11Nov 28, 2024Updated last year
- ☆15Sep 22, 2026Updated last month
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- ☆18Mar 13, 2024Updated 2 years ago
- GATSol, an enhanced predictor of protein solubility through the synergy of 3D structure information and large language modeling☆21Sep 7, 2024Updated 2 years ago
- The TurboGAP code☆22Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆16Apr 3, 2025Updated last year
- SLIP is a sandbox environment for engineering protein sequences with synthetic fitness functions.☆20Updated this week
- Material to run the HADDOCK antibody-antigen modelling protocol☆23Apr 13, 2026Updated 6 months ago
- ☆23Jul 4, 2021Updated 5 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆34Dec 21, 2025Updated 10 months ago
- DeepViscosity is a deep learning ANN model developed to predict high concentrated monoclonal antibody viscosity classes (Low <= 20cps, Hi…☆29Feb 23, 2026Updated 8 months ago
- ☆37Jun 4, 2023Updated 3 years ago
- This repository contains setup instructions and the notebooks for the AI in drug discovery workshops☆24Mar 1, 2023Updated 3 years ago
- Introductory lectures in atomistic machine learning☆24May 27, 2026Updated 5 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.
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆35Oct 15, 2020Updated 6 years ago
- Auxiliary tools for automated atomistic and coarse-grained molecular dynamics simulations using gromacs☆11Apr 23, 2021Updated 5 years ago
- High-throughput framework for running molecular simulations for METL☆23Sep 18, 2025Updated last year
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Oct 22, 2025Updated last year
- Metrics to evaluate distributional coverage of generative models of protein structures.☆22Aug 13, 2025Updated last year
- ☆17Jul 27, 2026Updated 3 months ago
- ☆11May 12, 2026Updated 5 months ago
- A user-friendly Laboratory Information Management System (LIMS) development and implementation☆12Apr 11, 2022Updated 4 years ago
- Atomistic Manipulation Toolkit☆35Sep 23, 2026Updated last month
- 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.
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- A comprehensive tool that automates the extraction of global and local cDFT descriptors using Multiwfn.☆19Mar 24, 2026Updated 7 months ago
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆25Aug 5, 2025Updated last year
- ☆29Updated this week
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 4 years ago
- ☆18Jun 13, 2025Updated last year
- Chemical Engineering at UP LaTeX templates☆10Sep 12, 2021Updated 5 years ago