A python package to create and analyse knowledge graph based on matched molecular pairs
☆11Oct 27, 2020Updated 5 years ago
Alternatives and similar repositories for mmp_kg
Users that are interested in mmp_kg are comparing it to the libraries listed below
Sorting:
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆23Feb 2, 2024Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year
- ☆29Jul 28, 2023Updated 2 years ago
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- Content for a 5 day mini-course on using R for Pharmacometrics☆13Aug 10, 2015Updated 10 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- Coding and data materials for the Event Fund AI for Drug Discovery Course☆10Updated this week
- When you face some problem in drug discovery, just delete☆12Aug 3, 2024Updated last year
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- VenomPred 2.0 API☆11Feb 4, 2026Updated last month
- jmp - search files and jump to matching lines in a text editor☆13Mar 14, 2021Updated 4 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated last year
- persian ocr pdf to word☆11Jun 20, 2022Updated 3 years ago
- pickle - Java object serialization library☆10Dec 2, 2023Updated 2 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆50Mar 11, 2024Updated last year
- ☆13Apr 15, 2024Updated last year
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- Interactive Visualizations course☆11Jul 4, 2025Updated 8 months ago
- For my midterm project of the Machine Learning Zoomcamp, I decided to work in the Open Bioinformatics Research Project proposed by Data P…☆10Nov 2, 2021Updated 4 years ago
- Raku plugin for the asdf version manager.☆12Jan 1, 2023Updated 3 years ago
- Community stuff – currently including release notes, but more coming soon.☆17Apr 14, 2023Updated 2 years ago
- Tutoriales de Quimioinformática aplicada al diseño de fármacos☆19Mar 28, 2025Updated 11 months ago
- ☆13Jun 23, 2025Updated 8 months ago
- Standalone mini-app of the ECMWF cloud microphysics parameterization☆12Feb 24, 2026Updated last week
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- ☆11Nov 21, 2022Updated 3 years ago
- ☆11Jul 1, 2024Updated last year
- A Perl 6 Implementation☆21Mar 5, 2012Updated 14 years ago
- Exploratory programming using the Raku language☆13Updated this week
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- ☆12Jul 22, 2025Updated 7 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆20Mar 31, 2024Updated last year
- Redis OM Spring Skeleton App☆12Jul 27, 2023Updated 2 years ago
- Asynchronous TLS sockets in Raku☆12Jun 3, 2025Updated 9 months ago
- ☆16Apr 24, 2025Updated 10 months ago
- ☆11Aug 13, 2025Updated 6 months ago