zmyybc / AlphaNetLinks
A Local Frame-based Atomistic Potential
☆111Updated last week
Alternatives and similar repositories for AlphaNet
Users that are interested in AlphaNet are comparing it to the libraries listed below
Sorting:
- Variational Autoencoder (VAE)-based molecular SMILES string generator☆13Updated 6 months ago
- ☆235Updated last year
- MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the r…☆51Updated last year
- This is the official code of the paper "A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature"☆65Updated last week
- ☆167Updated last year
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆83Updated 5 months ago
- Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".☆89Updated 2 months ago
- OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communica…☆30Updated 5 months ago
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆146Updated last week
- Toxicity prediction agents☆54Updated 2 weeks ago
- [JMI 2022] TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/☆19Updated last year
- PaddleMaterials is a data-mechanism dual-driven, foundation model development and deployment, end to end toolkit based on PaddlePaddle de…☆59Updated this week
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆52Updated 7 months ago
- A tool for visualizing molecular orbitals from cube files☆28Updated 3 months ago
- A Quantum Computing and Machine Learning Model that accelerates the Drug Research and Development process☆38Updated 11 months ago
- FEniCS codes for numerical electromagnetic fields. The version of FEniCS is 2017.2☆95Updated 2 years ago
- DASFAA 2024 - Knowledge Graph (KG) Augmented Disease Prediction Code☆42Updated last year
- An Open-Source Electrochemical Reaction Simulator☆169Updated last week
- ☆115Updated 3 months ago
- A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…☆34Updated last year
- Implementation of TKDE20 paper ''BTWalk: Branching Tree Random Walk for Multi-order Structured Network Embedding''☆19Updated 2 years ago
- Robust estimations from distribution structures: Mean.☆18Updated last year
- DPASyn: Mechanism-Aware Drug Synergy Prediction via Dual Attention and Precision-Aware Quantization☆28Updated 2 weeks ago
- Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >☆310Updated last month
- [ACL 25 main] Deliberate Reasoning in Language Models as Structure-Aware Planning with an Accurate World Model☆41Updated 2 weeks ago
- ☆25Updated 2 years ago
- SfmSR: Semantic-Guided Flow Matching for Fast and Accurate Remote Sensing Image Super-Resolution☆90Updated 9 months ago
- ☆40Updated 3 months ago
- File Explorer☆84Updated this week
- PHOENIX (Pauli-based High-level Optimization ENgine for Instruction eXecution) is an application-specific quantum compiler for Hamiltonia…☆105Updated 3 months ago