Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
☆10Jul 17, 2026Updated 2 weeks ago
Alternatives and similar repositories for pocket-cfdm
Users that are interested in pocket-cfdm are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Dec 4, 2023Updated 2 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- ☆12Jul 31, 2020Updated 6 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years 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.
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- ☆10Jun 24, 2023Updated 3 years ago
- ☆37Oct 20, 2022Updated 3 years ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆31Mar 30, 2026Updated 4 months ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jul 6, 2026Updated 3 weeks ago
- ☆13Jul 5, 2024Updated 2 years ago
- ☆12Jun 14, 2022Updated 4 years ago
- Python based scripts for D3R grand challenge 2 analysis☆16Apr 25, 2017Updated 9 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆19Jul 8, 2022Updated 4 years ago
- ☆17May 14, 2022Updated 4 years ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆40Aug 14, 2023Updated 2 years ago
- ☆28Aug 20, 2022Updated 3 years ago
- ☆143Aug 8, 2024Updated last year
- ☆20Jun 21, 2022Updated 4 years ago
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆12Nov 13, 2023Updated 2 years ago
- ☆15Jul 7, 2024Updated 2 years ago
- ☆13Apr 4, 2025Updated last year
- 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.
- ☆14Jun 4, 2021Updated 5 years ago
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated last year
- ☆75Jul 13, 2025Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Perform probe-guided blind docking with FTMap and DOCK6☆10Apr 25, 2023Updated 3 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 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
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆185Nov 1, 2023Updated 2 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.
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆22Apr 21, 2024Updated 2 years ago
- ☆11Aug 19, 2024Updated last year
- ☆16Jan 5, 2021Updated 5 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆144Jul 16, 2025Updated last year
- Water Network-Augmented Two-State model for Protein−Ligand Binding Affinity Prediction☆12Jun 10, 2023Updated 3 years ago
- Data from the COVID Moonshot project☆21Nov 9, 2023Updated 2 years ago