Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》, which has been accepted to ICML2025.
☆23Aug 6, 2025Updated 6 months ago
Alternatives and similar repositories for CP-Composer_final
Users that are interested in CP-Composer_final are comparing it to the libraries listed below
Sorting:
- ☆19Mar 20, 2025Updated 11 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Jul 9, 2024Updated last year
- Molecular conformer generation using enhanced sampling methods☆20Jul 28, 2025Updated 7 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆107Apr 16, 2025Updated 10 months ago
- design pipeline for protein, nucleic acid, and small molecule☆40Feb 11, 2026Updated 3 weeks ago
- ☆15Nov 11, 2025Updated 3 months ago
- ☆35Jan 26, 2026Updated last month
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆30Jul 4, 2024Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 5 months ago
- ☆12Jul 3, 2018Updated 7 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- QM40 is a QMx type of dataset which includes 150K molecules optimized from B3LYP/6-31G(2df,p) level of theory in the Gaussian16 with QM p…☆20Mar 25, 2025Updated 11 months ago
- Adaptive string method implementation in AmberTools23 and Amber22☆14Jan 7, 2025Updated last year
- Predicting Activated Sludge Microbial Communities based on time series of continuous sludge samples by using graph neural networks☆17Feb 23, 2026Updated last week
- ☆62Jan 23, 2026Updated last month
- ☆10Dec 20, 2023Updated 2 years ago
- A program for the conformational search in flexible acyclic molecules☆11Jul 12, 2022Updated 3 years ago
- ☆12Jun 21, 2025Updated 8 months ago
- COSMOS is a computational tool crafted to overcome the challenges associated with integrating spatially resolved multi-omics data. This …☆13Nov 12, 2024Updated last year
- ☆12Mar 13, 2024Updated last year
- ☆10Apr 1, 2023Updated 2 years ago
- A conda-smithy repository for lammps.☆10Sep 12, 2025Updated 5 months ago
- Automated Complex Generator☆14Dec 16, 2024Updated last year
- A General Quantum Software☆17Feb 24, 2026Updated last week
- A Universal Neural Network Solver for The Schrödinger Equation☆11Dec 3, 2024Updated last year
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- ☆14Feb 5, 2025Updated last year
- Ab Initio Energies☆10Nov 22, 2025Updated 3 months ago
- Generating Protein Variants with Different Generative Models (HMM, VAE, ESM-2, ProtGPT2)☆11Mar 14, 2024Updated last year
- Pyevolve☆14Dec 8, 2018Updated 7 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆30Feb 9, 2026Updated 3 weeks ago
- arbitrary precision clebsch-gordan coefficients for SO(3)☆14Apr 5, 2023Updated 2 years ago
- MetaFX – library for feature extraction from whole-genome metagenome sequencing data☆16Feb 24, 2026Updated last week
- ☆14May 10, 2024Updated last year
- This is the game Reversi☆12May 21, 2021Updated 4 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- GPT-based protein language model for PTM site prediction☆19Aug 11, 2024Updated last year
- Antimicrobial Peptide Structural Evolution Miner (AMP-SEMiner), an integrated AI framework designed for the simultaneous identification o…☆13May 10, 2025Updated 9 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated 2 weeks ago