☆29May 8, 2026Updated 2 months ago
Alternatives and similar repositories for Huntianling
Users that are interested in Huntianling are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official code-release for the Suiren Foundation Model.☆17Jun 24, 2026Updated 3 weeks ago
- A trivial demo of chemical regioselectivity prediction via machine learning☆14May 22, 2024Updated 2 years ago
- rid☆25Aug 15, 2021Updated 4 years ago
- NN PES for reactions.☆11May 27, 2022Updated 4 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Oct 22, 2025Updated 8 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆13May 29, 2020Updated 6 years ago
- Convolutional neural network for categorising prostate cancer from MRI images.☆11Jul 22, 2020Updated 6 years ago
- Protocols for running MD simulations in Gromacs☆11Jun 18, 2024Updated 2 years ago
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- Generate Ramachandran plots for single PDB structure and as heatmap for MD trajectory☆11Apr 6, 2022Updated 4 years ago
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated last year
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years 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.
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆14Sep 10, 2025Updated 10 months ago
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆15Jan 12, 2021Updated 5 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 8 months ago
- LASP python library including scripts and auto-NNtrain workflow☆20Nov 16, 2023Updated 2 years ago
- nanobody melting temperature prediction using protein embeddings☆13Feb 24, 2025Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆43Jan 29, 2026Updated 5 months ago
- ☆14Mar 7, 2024Updated 2 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 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.
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 3 months ago
- a Python library and CLI for the molecular dynamics simulation package Q☆21Nov 29, 2023Updated 2 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 2 months ago
- Quantum to Molecular Mechanics (Q2MM)☆25May 8, 2026Updated 2 months ago
- A set a basic Python scripts to edit a multiple sequence alignment and generate a protein consensus sequence☆19Jun 9, 2022Updated 4 years ago
- RIESLING: Super-enhancer identification. (Rapid Identification of EnhancerS LInked to Nearby Genes)☆10Jun 28, 2018Updated 8 years ago
- TLimmuno2: predicting MHC class II antigen immunogenicity through transfer learning☆13Jun 19, 2023Updated 3 years ago
- List of papers about Peptide research using Deep Learning☆44Jun 16, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆27Jul 29, 2021Updated 4 years ago
- ☆15Jun 7, 2022Updated 4 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- 宏基因组、代谢组和表型信息关联分析☆11Nov 15, 2018Updated 7 years ago
- Real Spherical Harmonics for PyTorch☆25Dec 5, 2022Updated 3 years ago
- CircRNA testing and ploting R package☆10Nov 23, 2020Updated 5 years ago