Tutorial using PLANTS (Protein-Ligand ANTSystem)
☆13Jul 27, 2024Updated last year
Alternatives and similar repositories for plants
Users that are interested in plants are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 7 months ago
- ☆26Jul 23, 2024Updated last year
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- ☆20Dec 15, 2025Updated 3 months ago
- Open-source protein-based pharmacophore modeling software☆37Feb 15, 2025Updated last year
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- The Vini in silico model of cancer☆12Mar 7, 2026Updated last month
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆84Nov 12, 2020Updated 5 years ago
- ☆16Mar 4, 2019Updated 7 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆14Oct 2, 2024Updated last year
- ☆11Mar 28, 2024Updated 2 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆32Mar 9, 2026Updated last month
- Tutorial on deep generative models with experiments on MNIST☆11Nov 7, 2018Updated 7 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.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- WPF UserControl realize virtualization ListView element supported changing, sorting and filtering☆13Nov 2, 2018Updated 7 years ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆21May 26, 2025Updated 10 months ago
- ASE calculator wrapper for g-xTB☆27Jul 4, 2025Updated 9 months ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆13Aug 11, 2025Updated 8 months ago
- ☆21Mar 20, 2025Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 2 years ago
- 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.
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated last year
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 3 years ago
- Discovering Quality-Diversity Algorithms via Meta-Black-Box Optimization☆22Dec 1, 2025Updated 4 months ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 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 2 years ago
- ☆13Sep 29, 2023Updated 2 years ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆21May 21, 2025Updated 10 months ago
- Ligand-based Virtual Screening using Deep Learning☆16Mar 25, 2025Updated last year
- Repository containing scripts and analysis for ML-Guided Acyl-ACP Reductase Engineering paper☆11Nov 21, 2023Updated 2 years 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.
- python API for rowan☆19Apr 6, 2026Updated last week
- an integrated tool for molecular docking and virtual screening☆79Jun 19, 2025Updated 9 months ago
- Transformer-based autoregressive varitional autoencoder☆12Feb 10, 2020Updated 6 years ago
- Parallel Molecular Docking using PLANTS software☆14Dec 8, 2024Updated last year
- Deep Bayesian Optimization for Problems with High-Dimensional Structure☆16Sep 26, 2022Updated 3 years ago
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated last week
- ☆12Jun 19, 2021Updated 4 years ago