--- id: "/tags/materials-chemistry/" title: "Materials Chemistry" creator: null creator_url: null creator_x: null url: "https://skillissue.dev/tags/materials-chemistry/" level: null level_max: null category: null subcategory: null region: null license: null license_scope: null access: null models: null source_date: null date_added: null resource_kind: null verification_basis: null access_evidence: null domain_top: null domain_sub: null last_verified: null --- # Materials Chemistry [Beginner](/levels/beginner/index.md) [Intermediate](/levels/intermediate/index.md) [Advanced](/levels/advanced/index.md) [Expert](/levels/expert/index.md) 24 resources · page 1 of 1 - ### [BEEP](/frontier/research-feeds/beep/index.md) Creator not supplied; see original source. TRI BEEP GitHub repo: tools for battery evaluation and early prediction of cycle life from cycling data. Not applicable (entity) · unknown · unknown resource · en - ### [ChemCrow](/frontier/research-feeds/chemistry/index.md) Creator not supplied; see original source. ChemCrow GitHub repo: LLM agent package using chemistry tools for reasoning-intensive tasks. Not applicable (entity) · unknown · unknown resource · en - ### [CHGNet](/frontier/research-feeds/chgnet/index.md) Creator not supplied; see original source. CHGNet GitHub repo (Ceder Group): pretrained universal neural network potential for charge-informed atomistic modelling. Not applicable (entity) · unknown · unknown resource · en - ### [DeePMD-kit](/frontier/research-feeds/deepmd-kit/index.md) Creator not supplied; see original source. DeePMD-kit GitHub repo: deep learning package for many-body potential energy and molecular dynamics. Not applicable (entity) · unknown · unknown resource · en - ### [DimeNet](/frontier/research-feeds/dimenet/index.md) Creator not supplied; see original source. DimeNet GitHub repo: DimeNet and DimeNet++ directional message-passing models for molecules. Not applicable (entity) · unknown · unknown resource · en - ### [FAIR Chemistry](/frontier/research-feeds/fair-chemistry/index.md) Creator not supplied; see original source. Meta FAIR Chemistry GitHub repo: machine learning methods and models for chemistry and materials. Not applicable (entity) · unknown · unknown resource · en - ### [FAIR Chemistry Documentation](/frontier/research-feeds/fair-chemistry-open-catalyst-omat-omol/index.md) Creator not supplied; see original source. FAIR Chemistry documentation: open catalysis, materials and molecule datasets such as Open Catalyst, OMat and OMol, plus models. Not applicable (entity) · unknown · unknown resource · en - ### [GemNet](/frontier/research-feeds/gemnet/index.md) Creator not supplied; see original source. TUM-DAML GemNet GitHub repo: TensorFlow implementation of the GemNet directional message-passing model for molecules. Not applicable (entity) · unknown · unknown resource · en - ### [Lila Sciences](/frontier/research-feeds/lila-sciences/index.md) Creator not supplied; see original source. Lila Sciences: company building AI systems and automated labs for scientific discovery. Not applicable (entity) · unknown · unknown resource · en - ### [M3GNet](/frontier/research-feeds/m3gnet/index.md) Creator not supplied; see original source. M3GNet GitHub repo: materials graph network with three-body interactions as an interatomic potential. Not applicable (entity) · unknown · unknown resource · en - ### [MACE](/frontier/research-feeds/mace/index.md) Creator not supplied; see original source. MACE GitHub repo: equivariant machine learning interatomic potentials for atomistic simulation. Not applicable (entity) · unknown · unknown resource · en - ### [materials](/frontier/research-feeds/materials/index.md) Creator not supplied; see original source. DeepMind materials_discovery GitHub repo: GNoME dataset of predicted stable crystals, models and Colabs. Not applicable (entity) · unknown · unknown resource · en - ### [MatterGen](/frontier/research-feeds/mattergen/index.md) Creator not supplied; see original source. Microsoft MatterGen GitHub repo: generative model for designing inorganic materials. Not applicable (entity) · unknown · unknown resource · en - ### [NequIP](/frontier/research-feeds/nequip/index.md) Creator not supplied; see original source. NequIP GitHub repo: E(3)-equivariant neural network interatomic potentials. Not applicable (entity) · unknown · unknown resource · en - ### [Periodic Labs](/frontier/research-feeds/periodic-labs/index.md) Creator not supplied; see original source. Periodic Labs: company using AI and autonomous labs for materials science discovery. Not applicable (entity) · unknown · unknown resource · en - ### [TorchANI](/frontier/research-feeds/torchani/index.md) Creator not supplied; see original source. TorchANI GitHub repo: library for training and using ANI neural network potentials for molecules. Not applicable (entity) · unknown · unknown resource · en - ### [Uni-Mol](/frontier/research-feeds/uni-mol/index.md) Creator not supplied; see original source. Uni-Mol GitHub repo (DP Technology): 3D molecular pretraining models for property prediction and docking. Not applicable (entity) · unknown · unknown resource · en - ### [Autonomous chemical research with large language models (Coscientist)](/frontier/research-feeds/coscientist-boiko-et-al-nature-2023/index.md) Creator not supplied; see original source. Nature paper (2023) on Coscientist, autonomous chemical research with large language models. Advanced · unknown · unknown resource · en - ### [Scaling deep learning for materials discovery (GNoME)](/frontier/research-feeds/gnome-scaling-deep-learning-for-materials-discovery-nature-2023/index.md) Creator not supplied; see original source. Nature paper (2023) on GNoME, scaling deep learning to discover new stable materials. Advanced · unknown · unknown resource · en - ### [MatGL](/frontier/research-feeds/matgl/index.md) Creator not supplied; see original source. MatGL: graph deep learning library for materials property prediction and interatomic potentials. Advanced · unknown · unknown resource · en - ### [matminer](/frontier/research-feeds/matminer/index.md) Creator not supplied; see original source. matminer documentation: Python library for mining materials data and generating features for ML models. Advanced · unknown · unknown resource · en - ### [PaiNN](/frontier/research-feeds/painn/index.md) Creator not supplied; see original source. arXiv HTML version of the PaiNN paper (2021) on equivariant message passing for molecular property prediction. Advanced–Expert · unknown · unknown resource · en - ### [SchNet: A continuous-filter convolutional neural network for modeling quantum interactions](/frontier/research-feeds/schnet/index.md) Creator not supplied; see original source. arXiv paper (2017) introducing SchNet, a continuous-filter convolutional network for modelling quantum interactions in molecules. Advanced–Expert · unknown · unknown resource · en - ### [SchNet: a deep learning architecture for molecules and materials](/frontier/research-feeds/schnet-2/index.md) Creator not supplied; see original source. arXiv paper (2017) "SchNet - a deep learning architecture for molecules and materials", using continuous-filter convolutions to predict molecular energies and forces. Advanced–Expert · unknown · unknown resource · en [Plain-text Markdown copy](/tags/materials-chemistry/index.md)