☆29May 8, 2026Updated 3 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 last month
- 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 9 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- 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
- ☆18Jul 29, 2024Updated 2 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
- 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.
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years ago
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆16Sep 10, 2025Updated 11 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
- PyTorch Autodiff DFT-D3 Implementation.☆25Aug 3, 2026Updated last week
- nanobody melting temperature prediction using protein embeddings☆13Feb 24, 2025Updated last year
- LASP python library including scripts and auto-NNtrain workflow☆20Nov 16, 2023Updated 2 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆43Jan 29, 2026Updated 6 months ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 6 years ago
- Metagenome sequencing pipeline 宏基因组分析流程☆12Aug 29, 2022Updated 3 years ago
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 4 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
- Quantum to Molecular Mechanics (Q2MM)☆25May 8, 2026Updated 3 months 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☆46Jun 16, 2026Updated last month
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- ☆15Jun 7, 2022Updated 4 years ago
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆27Jul 29, 2021Updated 5 years ago
- 宏基因组、代谢组和表型信息关联分析☆11Nov 15, 2018Updated 7 years ago
- µgit: DIY Git in Python☆25Sep 20, 2020Updated 5 years ago
- CircRNA testing and ploting R package☆10Nov 23, 2020Updated 5 years ago