huzongxiang / MatDGLLinks
MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the research and application of material science.
☆51Updated last year
Alternatives and similar repositories for MatDGL
Users that are interested in MatDGL are comparing it to the libraries listed below
Sorting:
- Variational Autoencoder (VAE)-based molecular SMILES string generator☆13Updated 5 months ago
- A Local Frame-based Atomistic Potential☆111Updated 2 weeks ago
- [JMI 2022] TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/☆19Updated 11 months ago
- A tool for visualizing molecular orbitals from cube files☆28Updated 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 4 months ago
- FEniCS codes for numerical electromagnetic fields. The version of FEniCS is 2017.2☆95Updated 2 years ago
- Toxicity prediction agents☆54Updated last week
- Low-illumination-image-enhancement-network☆57Updated 3 years ago
- An Open-Source Electrochemical Reaction Simulator☆169Updated last week
- This is the official code of the paper "A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature"☆55Updated last week
- LDPM developement laboratory☆35Updated 9 months ago
- A Quantum Computing and Machine Learning Model that accelerates the Drug Research and Development process☆38Updated 11 months ago
- ☆26Updated 3 years ago
- CATA stroage. Design based on Flow Blockchain, with fast, secure, and developer-friendly feature. Support the next generation of games, a…☆21Updated 2 years ago
- Python implementation of Remez algorithm, provides the best uniform polynomial approximation to functions based on the minimization of th…☆27Updated 9 months ago
- Implementation of TKDE20 paper ''BTWalk: Branching Tree Random Walk for Multi-order Structured Network Embedding''☆19Updated 2 years ago
- ☆77Updated 2 years ago
- ☆73Updated 3 years ago
- ☆32Updated 11 months ago
- ☆28Updated 3 years ago
- [Elsevier SOCL'22] Investigate in ML/DL-ensembled models and visualize features by dimension reduction techniques like PCA and t-SNE, mea…☆23Updated 9 months ago
- Robust estimations from distribution structures: Mean.☆18Updated last year
- CmdGuru provides several handy commands that can help you become a command line guru in no time.☆27Updated 4 years ago
- Deep Efficient Spectral Reconstruction from Single RGB Images☆33Updated 3 years ago
- ☆43Updated 3 years ago
- ☆33Updated 3 years ago
- ☆31Updated 2 years ago
- A novel probabiliatic conditional GAN method to solve the Drug Activity question☆24Updated last year
- 以jax为后端的类似keras的框架☆97Updated 2 years ago
- Private Leaderboard 1st place in Tsing hua University's Machine Learning Competition.☆29Updated 3 years ago