Contributed and additional nodes for maize
☆23Feb 18, 2026Updated 5 months ago
Alternatives and similar repositories for maize-contrib
Users that are interested in maize-contrib 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 graph-based workflow manager for computational chemistry pipelines☆82Feb 18, 2026Updated 5 months ago
- ☆15Aug 8, 2025Updated 11 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Apr 30, 2024Updated 2 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- Structural analysis tools for OpenFE free energy calculations, built on MDAnalysis.☆20Jul 15, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆57Jan 15, 2026Updated 6 months ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Graph variational encoders for drug engineering and potentiation☆32Jul 11, 2023Updated 3 years ago
- ☆42Jul 8, 2023Updated 3 years ago
- ☆25Jan 16, 2024Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 9 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆45Aug 28, 2022Updated 3 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆17Jun 12, 2026Updated last month
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆68Jul 7, 2026Updated 2 weeks ago
- ☆19Jul 14, 2022Updated 4 years ago
- The official repository of Uni-pKa☆112Apr 1, 2025Updated last year
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13May 22, 2013Updated 13 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆36Dec 26, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆18Aug 5, 2023Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆71Nov 20, 2023Updated 2 years ago
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 weeks ago
- ☆10May 17, 2021Updated 5 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆21Sep 25, 2024Updated last year
- A unified tree search framework for molecular generation.☆20Updated this week
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆13Dec 1, 2025Updated 7 months ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- Molecular conformer generation using enhanced sampling methods☆21Jul 28, 2025Updated 11 months ago
- ☆22Jan 5, 2025Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- ☆15Jun 21, 2022Updated 4 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU☆19Nov 19, 2024Updated last year