De novo drug design with deep interactome learning
☆21Mar 19, 2026Updated 4 months ago
Alternatives and similar repositories for dragonfly_gen
Users that are interested in dragonfly_gen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jul 5, 2024Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- De novo drug design with deep interactome learning☆42Mar 20, 2026Updated 4 months ago
- Predicting Nanobody Binding Epitopes Based on a Pretrained RoBERTa-based Model☆16Jun 4, 2024Updated 2 years ago
- FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.☆14Aug 3, 2026Updated last week
- 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.
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆19Jun 3, 2020Updated 6 years ago
- ☆27Feb 10, 2024Updated 2 years ago
- The data and standalone program of ESM-DBP☆10Jun 25, 2024Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆39Jul 15, 2026Updated last month
- ☆18May 16, 2026Updated 2 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆77Mar 27, 2025Updated last year
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated last year
- ☆39Jun 30, 2024Updated 2 years ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation☆22Jul 23, 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.
- Protein Origami via Genetic Fusions☆18Sep 19, 2022Updated 3 years ago
- ☆42Jun 3, 2025Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Aug 5, 2026Updated last week
- Supporting code for the paper "Discovering senolytics with deep learning"☆18Apr 24, 2023Updated 3 years ago
- Modelling protein conformational landscape with Alphafold☆61Aug 29, 2025Updated 11 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated last month
- Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation☆13Dec 13, 2024Updated last year
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆46May 22, 2025Updated last year
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- 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.
- ☆16Oct 27, 2024Updated last year
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- ☆81Feb 17, 2026Updated 5 months ago
- Pretrained METL models with minimal dependencies☆16Sep 18, 2025Updated 10 months ago
- Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning☆13Jul 5, 2023Updated 3 years ago
- This repository contains scripts, data and jupyter notebooks used to produce the evaluation results in the BioPhi 2021 publication☆17Jan 2, 2023Updated 3 years ago
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 years ago
- Multi-domain Distribution Learning for De Novo Drug Design☆166Jan 26, 2026Updated 6 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆71Nov 20, 2023Updated 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.
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆21Jun 19, 2025Updated last year
- ☆29Jul 28, 2023Updated 3 years ago
- The first large protein language model trained follows structure instructions.☆101May 20, 2025Updated last year
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 3 months ago
- ☆24Jul 27, 2021Updated 5 years ago
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆73Jul 1, 2026Updated last month
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆23Sep 4, 2023Updated 2 years ago