CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning
☆21Aug 13, 2024Updated last year
Alternatives and similar repositories for cremp
Users that are interested in cremp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Introduction to cyclic peptide simulations and our group's protocols.☆17Sep 21, 2023Updated 2 years ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆35Nov 24, 2025Updated 5 months ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆19May 5, 2025Updated 11 months ago
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆22Aug 13, 2024Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆30May 10, 2025Updated 11 months 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.
- ☆15Apr 30, 2025Updated last year
- Machine Learning based toxicity prediction tool for small molecules.☆11Feb 13, 2024Updated 2 years ago
- ☆13Nov 26, 2024Updated last year
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- ☆37Aug 28, 2023Updated 2 years ago
- ☆67Mar 16, 2025Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Jul 9, 2024Updated last year
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 6 years ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆24Dec 20, 2024Updated last year
- 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.
- ☆11Nov 11, 2023Updated 2 years ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Apr 15, 2026Updated 2 weeks ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- ☆42Apr 30, 2024Updated 2 years ago
- Protein Structure Analysis☆74Mar 21, 2026Updated last month
- Curated list on Deep Transformers Applications on Biology and Chemistry☆19Apr 8, 2023Updated 3 years ago
- MHCAttnNet: Allele-Peptide predictions for class I & class II MHC alleles☆30Feb 14, 2021Updated 5 years ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆34Jul 4, 2024Updated last year
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆26Mar 21, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- KERMT is a pretrained graph neural network model for molecular property prediction.☆77Mar 30, 2026Updated last month
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆54Jun 23, 2025Updated 10 months ago
- ☆16Oct 27, 2024Updated last year
- A simple web demo with minimal framework using PyTorch and Streamlit to showcase an image classification model.☆13Dec 17, 2022Updated 3 years ago
- Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints☆51Jun 30, 2025Updated 10 months ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆26Feb 23, 2026Updated 2 months ago
- ☆13Jul 15, 2024Updated last year
- A lightweight script to make vector images of molecules☆20Oct 17, 2025Updated 6 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Making Protein folding accessible to all!☆26Mar 22, 2026Updated last month
- ☆21Mar 14, 2023Updated 3 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- drugdesign.org source of truth☆28Feb 18, 2024Updated 2 years ago
- The code for SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network.☆11Dec 27, 2021Updated 4 years ago
- The Chemical Data Processing Toolkit☆117Apr 24, 2026Updated last week
- ☆37Jan 26, 2026Updated 3 months ago