shepherd
importedtherapeutics/shepherd
Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 oral]
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- active
- Maturity
- deployed
- Organization
- coleygroup
- Country
- unknown
- Homepage
- arxiv.org/abs/2411.04130
- Repository
- github.com/coleygroup/shepherd
- Documentation
- unknown
- Tags
- drug-design · drug-discovery · generative-ai
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- reinvent-UIdrug-design · drug-discovery · generative-ai
An interactive web-based UI app for REINVENT that enables users to generate input files for running REINVENT calculations.
- DiffDock-Pocketdrug-discovery · generative-ai
Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
- dyMEANdrug-discovery · generative-ai
This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
- MEANdrug-discovery · generative-ai
This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
- metisdrug-discovery · generative-ai
Python-based GUI to collect Feedback of Chemist in Molecules
- PepGLADdrug-discovery · generative-ai
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
- api.github.com/repos/coleygroup/shepherdretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-03-31, 94 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
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